benzyl N-(3-chloro-4-methoxyphenyl)carbamate
TL;DR: benzyl N-(3-chloro-4-methoxyphenyl)carbamate (CAS 677728-48-2) is a chemical compound with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-chloro-4-methoxyphenyl)carbamate
Also Known As: benzyl N-(3-chloro-4-methoxyphenyl)carbamate, Benzyl N-(3-chloro-4-methoxy-phenyl)carbamate
| Molecular Formula | C15H14ClNO3 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 4.0973 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06622 |
| Heavy Atoms | 20 |
| Complexity | 586.9274 |
Chemical Identifiers
| CAS Number | 677728-48-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)Cl |
Product Overview
benzyl N-(3-chloro-4-methoxyphenyl)carbamate (CAS 677728-48-2), with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol. IUPAC: benzyl N-(3-chloro-4-methoxyphenyl)carbamate.
Chemical Property Profile of benzyl N-(3-chloro-4-methoxyphenyl)carbamate
Property Insights of benzyl N-(3-chloro-4-methoxyphenyl)carbamate
The XLogP value of 4.0973 indicates that benzyl N-(3-chloro-4-methoxyphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, benzyl N-(3-chloro-4-methoxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-(3-chloro-4-methoxyphenyl)carbamate has 1 hydrogen bond donor(s) and 3 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 benzyl N-(3-chloro-4-methoxyphenyl)carbamate?
The CAS number of benzyl N-(3-chloro-4-methoxyphenyl)carbamate is 677728-48-2.
What is the molecular formula of benzyl N-(3-chloro-4-methoxyphenyl)carbamate?
The molecular formula of benzyl N-(3-chloro-4-methoxyphenyl)carbamate is C15H14ClNO3.
What is the molecular weight of benzyl N-(3-chloro-4-methoxyphenyl)carbamate?
The molecular weight of benzyl N-(3-chloro-4-methoxyphenyl)carbamate is 291.07 g/mol.
Where can I buy benzyl N-(3-chloro-4-methoxyphenyl)carbamate?
You can request a quote for benzyl N-(3-chloro-4-methoxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-(3-chloro-4-methoxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(3-chloro-4-methoxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.