Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
TL;DR: Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol (CAS 9019-94-7) is a chemical compound with molecular formula C21H32N2O10 and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;hexanedioic acid
Also Known As: Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, (C9-H6-N2-O2.C6-H10-O4.C4-H10-O2.C2-H6-O2)x-, adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; ethylene glycol, butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; ethane-1,2-diol; hexanedioic acid
| Molecular Formula | C21H32N2O10 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 1.36782 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 472.2057 |
| Heavy Atoms | 33 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 9019-94-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O |
| InChIKey | WTXDHOTZHGHLNV-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol (CAS 9019-94-7), with molecular formula C21H32N2O10 and molecular weight 472.21 g/mol. IUPAC: butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;hexanedioic acid.
Chemical Property Profile of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
Property Insights of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
The XLogP value of 1.36782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol. The TPSA of 214.0 Ų indicates high polarity, suggesting Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol 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 Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The CAS number of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is 9019-94-7.
What is the molecular formula of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The molecular formula of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is C21H32N2O10.
What is the molecular weight of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The molecular weight of Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is 472.21 g/mol.
Where can I buy Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
You can request a quote for Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 1,2-ethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.