1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid
TL;DR: 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid (CAS 52738-38-2) is a chemical compound with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid
Also Known As: Adipic acid, 1,4-butanediol, xylylenediisocyanate polymer, Hexanedioic acid, polymer with bis(isocyanatomethyl)benzene and 1,4-butanediol, (C10-H8-N2-O2.C6-H10-O4.C4-H10-O2)x-, 1,2-bis(isocyanatomethyl)benzene; butane-1,4-diol; hexanedioic acid
| Molecular Formula | C20H28N2O8 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 1.8254 |
| Topological Polar Surface Area | 173.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 424.18457 |
| Heavy Atoms | 30 |
| Complexity | 636.8018 |
Chemical Identifiers
| CAS Number | 52738-38-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN=C=O)CN=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
Product Overview
1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid (CAS 52738-38-2), with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol. IUPAC: 1,2-bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid.
Chemical Property Profile of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid
Property Insights of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid
The XLogP value of 1.8254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid. The TPSA of 173.92 Ų indicates high polarity, suggesting 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid has 4 hydrogen bond donor(s) and 8 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 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid?
The CAS number of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid is 52738-38-2.
What is the molecular formula of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid?
The molecular formula of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid is C20H28N2O8.
What is the molecular weight of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid?
The molecular weight of 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid is 424.18 g/mol.
Where can I buy 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid?
You can request a quote for 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(isocyanatomethyl)benzene;butane-1,4-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.