![N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide structure](/static/products/4016/401617-73-0.webp)
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
TL;DR: N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide (CAS 401617-73-0) is a chemical compound with molecular formula C16H14ClIN2OS and molecular weight 443.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
Also Known As: N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide, N-(2-chloro-4-iodophenyl)-N'-(3,4-dimethylbenzoyl)thiourea, (3,4-dimethylphenyl)-N-{[(2-chloro-4-iodophenyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C16H14ClIN2OS |
|---|---|
| Molecular Weight | 443.96 g/mol |
| LogP | 4.68824 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.95602 |
| Heavy Atoms | 22 |
| Complexity | 748.92084 |
Chemical Identifiers
| CAS Number | 401617-73-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)Cl)C |
Product Overview
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide (CAS 401617-73-0), with molecular formula C16H14ClIN2OS and molecular weight 443.96 g/mol. IUPAC: N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
Property Insights of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
The XLogP value of 4.68824 indicates that N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide has 2 hydrogen bond donor(s) and 2 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-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The CAS number of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide is 401617-73-0.
What is the molecular formula of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The molecular formula of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide is C16H14ClIN2OS.
What is the molecular weight of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The molecular weight of N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide is 443.96 g/mol.
Where can I buy N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide?
You can request a quote for N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.