butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
TL;DR: butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane (CAS 103570-32-7) is a chemical compound with molecular formula C50H96N4O18 and molecular weight 1040.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
Also Known As: butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane, (C12-H18-N2-O2.C8-H12-N2-O2.C6-H14-O3.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O2.C3-H6-O)x-, butane-1,4-diol; 1,6-diisocyanatohexane; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane, Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane and methyloxirane, Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 2-methyloxirane
| Molecular Formula | C50H96N4O18 |
|---|---|
| Molecular Weight | 1040.67 g/mol |
| LogP | 4.222 |
| Topological Polar Surface Area | 387.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Exact Mass | 1040.672 |
| Heavy Atoms | 72 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 103570-32-7 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | IKMMLIXQTQQPDP-UHFFFAOYSA-N |
Product Overview
butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane (CAS 103570-32-7), with molecular formula C50H96N4O18 and molecular weight 1040.67 g/mol. IUPAC: butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane.
Chemical Property Profile of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
Property Insights of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
The XLogP value of 4.222 indicates that butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 387.0 Ų indicates high polarity, suggesting butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The CAS number of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is 103570-32-7.
What is the molecular formula of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The molecular formula of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is C50H96N4O18.
What is the molecular weight of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
The molecular weight of butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane is 1040.67 g/mol.
Where can I buy butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
You can request a quote for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane?
Yes, KEHONG BIO provides custom synthesis services for butane-1,4-diol;1,6-diisocyanatohexane;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.