![N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide structure](/static/products/4288/428852-59-9.webp)
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
TL;DR: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide (CAS 428852-59-9) is a chemical compound with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
Also Known As: AB00110078-01, N-(3-chloro-4-methoxyphenyl)-N'-(3-methylbenzoyl)thiourea, AN-648/40681884, N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
| Molecular Formula | C16H15ClN2O2S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 3.78382 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0543 |
| Heavy Atoms | 22 |
| Complexity | 719.04205 |
Chemical Identifiers
| CAS Number | 428852-59-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl |
Product Overview
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide (CAS 428852-59-9), with molecular formula C16H15ClN2O2S and molecular weight 334.05 g/mol. IUPAC: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide.
Chemical Property Profile of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
Property Insights of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
The XLogP value of 3.78382 indicates that N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide has 2 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 N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide?
The CAS number of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide is 428852-59-9.
What is the molecular formula of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide?
The molecular formula of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide is C16H15ClN2O2S.
What is the molecular weight of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide?
The molecular weight of N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide is 334.05 g/mol.
Where can I buy N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide?
You can request a quote for N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.