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Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate
TL;DR: Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate (CAS 321980-65-8) is a chemical compound with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylphenyl]carbamate
Also Known As: IFLab1_000563, IDI1_008782, AE-848/11905335, methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate, methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}phenylcarbamate
| Molecular Formula | C16H14ClNO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0383 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 321980-65-8 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | CBEIJCVUDUFZLL-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate (CAS 321980-65-8), with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol. IUPAC: methyl N-[4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylphenyl]carbamate.
Chemical Property Profile of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate
Property Insights of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate
The XLogP value of 4.5 indicates that Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate. Following Lipinski's Rule of Five, Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate 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 Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate?
The CAS number of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate is 321980-65-8.
What is the molecular formula of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate?
The molecular formula of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate is C16H14ClNO3S.
What is the molecular weight of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate?
The molecular weight of Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate is 335.04 g/mol.
Where can I buy Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate?
You can request a quote for Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.