Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol
TL;DR: Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol (CAS 52270-22-1) is a chemical compound with molecular formula C24H46N2O10 and molecular weight 522.32 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;hexanedioic acid;hexane-1,6-diol
Also Known As: (C8-H12-N2-O2.C6-H14-O2.C6-H10-O4.C4-H10-O2)x-, Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane and 1,6-hexanediol, butane-1,4-diol; 1,6-diisocyanatohexane; hexanedioic acid; hexane-1,6-diol, Adipic acid, 1,6-hexanediol, 1,6-hexamethylenediisocyanate, 1,4-butanediol polymer
| Molecular Formula | C24H46N2O10 |
|---|---|
| Molecular Weight | 522.32 g/mol |
| LogP | 2.217 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Exact Mass | 522.31525 |
| Heavy Atoms | 36 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 52270-22-1 |
|---|---|
| SMILES | C(CCCN=C=O)CCN=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | GUDBYNVZXXSYAQ-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol (CAS 52270-22-1), with molecular formula C24H46N2O10 and molecular weight 522.32 g/mol. IUPAC: butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol.
Chemical Property Profile of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol
Property Insights of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol
The XLogP value of 2.217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol. The TPSA of 214.0 Ų indicates high polarity, suggesting Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol has 6 hydrogen bond donor(s) and 12 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;hexanedioic acid;hexane-1,6-diol?
The CAS number of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol is 52270-22-1.
What is the molecular formula of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol?
The molecular formula of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol is C24H46N2O10.
What is the molecular weight of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol?
The molecular weight of Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol is 522.32 g/mol.
Where can I buy Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol?
You can request a quote for Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol 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;hexanedioic acid;hexane-1,6-diol?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diol;1,6-diisocyanatohexane;hexanedioic acid;hexane-1,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.