(C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-
TL;DR: (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- (CAS 35325-80-5) is a chemical compound with molecular formula C22H42N2O7 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-, butane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane, Isophorone diisocyanate, trimethylolpropane, 1,3-butylene glycol polymer, 1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, 1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
| Molecular Formula | C22H42N2O7 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 1.3523 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.2992 |
| Heavy Atoms | 31 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 35325-80-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(CCO)O.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C |
| InChIKey | UWGDAQQJCTWIBA-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- (CAS 35325-80-5), with molecular formula C22H42N2O7 and molecular weight 446.30 g/mol. IUPAC: butane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-
Property Insights of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-
The XLogP value of 1.3523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-. The TPSA of 160.0 Ų indicates high polarity, suggesting (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-?
The CAS number of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- is 35325-80-5.
What is the molecular formula of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-?
The molecular formula of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- is C22H42N2O7.
What is the molecular weight of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-?
The molecular weight of (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- is 446.30 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-?
You can request a quote for (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H14-O3.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.