4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate
TL;DR: 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate (CAS 477845-97-9) is a chemical compound with molecular formula C13H12ClNO3S and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-(3-methoxythiophen-2-yl)carbamate
Also Known As: Carbamicacid, -, methylester, 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate, (4-chlorophenyl)methyl N-(3-methoxythiophen-2-yl)carbamate, 4-Chlorobenzyl (3-methoxythiophen-2-yl)carbamate, 4-Chlorobenzyl(3-methoxythiophen-2-yl)carbamate
| Molecular Formula | C13H12ClNO3S |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 4.1588 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.02264 |
| Heavy Atoms | 19 |
| Complexity | 553.2709 |
Chemical Identifiers
| CAS Number | 477845-97-9 |
|---|---|
| SMILES | COC1=C(SC=C1)NC(=O)OCC2=CC=C(C=C2)Cl |
Product Overview
4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate (CAS 477845-97-9), with molecular formula C13H12ClNO3S and molecular weight 297.02 g/mol. IUPAC: (4-chlorophenyl)methyl N-(3-methoxythiophen-2-yl)carbamate.
Chemical Property Profile of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate
Property Insights of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate
The XLogP value of 4.1588 indicates that 4-chlorobenzyl N-(3-methoxy-2-thienyl)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, 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate has 1 hydrogen bond donor(s) and 4 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 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate?
The CAS number of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate is 477845-97-9.
What is the molecular formula of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate?
The molecular formula of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate is C13H12ClNO3S.
What is the molecular weight of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate?
The molecular weight of 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate is 297.02 g/mol.
Where can I buy 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate?
You can request a quote for 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl N-(3-methoxy-2-thienyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.