Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester
TL;DR: Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester (CAS 65105-02-4) is a chemical compound with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]butyl N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: Carbamic acid, (3-isocyanatomethylphenyl)-, 1,4-butanediyl ester, butane-1,4-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}, Bis[[3-(isocyanatomethyl)phenyl]carbamic acid]1,4-butanediyl, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester, 1,3-dimethyl-4-phenylpiperidin-4-yl propanoate 2,3-dihydroxybutanedioate(1:1)
| Molecular Formula | C22H22N4O6 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 438.15393 |
| Heavy Atoms | 32 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 65105-02-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCCCCOC(=O)NC2=CC=CC(=C2)CN=C=O)CN=C=O |
| InChIKey | XHTDSKSTMYPBEX-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester (CAS 65105-02-4), with molecular formula C22H22N4O6 and molecular weight 438.15 g/mol. IUPAC: 4-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]butyl N-[3-(isocyanatomethyl)phenyl]carbamate.
Chemical Property Profile of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester
Property Insights of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester
The XLogP value of 5.0 indicates that Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester. Following Lipinski's Rule of Five, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester has 2 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 Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester?
The CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester is 65105-02-4.
What is the molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester?
The molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester is C22H22N4O6.
What is the molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester?
The molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester is 438.15 g/mol.
Where can I buy Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester?
You can request a quote for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,4-butanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.