Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester
TL;DR: Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester (CAS 68092-73-9) is a chemical compound with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: ethylene -carbamate, Ethylene (3-isocyanatomethylphenyl)-carbamate, Carbamic acid, (3-isocyanatomethylphenyl)-, 1,2-ethanediyl ester, ethane-1,2-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester
| Molecular Formula | C20H18N4O6 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 410.12262 |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 68092-73-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCCOC(=O)NC2=CC=CC(=C2)CN=C=O)CN=C=O |
| InChIKey | XFIRHQKNSMDAHH-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester (CAS 68092-73-9), with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol. IUPAC: 2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate.
Chemical Property Profile of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester
Property Insights of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester
The XLogP value of 4.3 indicates that Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) 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'-(1,2-ethanediyl) ester. Following Lipinski's Rule of Five, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) 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'-(1,2-ethanediyl) ester?
The CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester is 68092-73-9.
What is the molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester?
The molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester is C20H18N4O6.
What is the molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester?
The molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester is 410.12 g/mol.
Where can I buy Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester?
You can request a quote for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) 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'-(1,2-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1,2-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.