![N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide structure](/static/products/642/642961-34-0.png)
N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
TL;DR: N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide (CAS 642961-34-0) is a chemical compound with molecular formula C16H12IN3O2S and molecular weight 436.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
Also Known As: AN-329/41573259, N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide, N-(3-cyanophenyl)-N'-(3-iodo-4-methoxybenzoyl)thiourea, N-{[(3-cyanophenyl)amino]carbonothioyl}-3-iodo-4-methoxybenzamide
| Molecular Formula | C16H12IN3O2S |
|---|---|
| Molecular Weight | 436.97 g/mol |
| LogP | 3.29828 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.9695 |
| Heavy Atoms | 23 |
| Complexity | 802.15265 |
Chemical Identifiers
| CAS Number | 642961-34-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N)I |
Product Overview
N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide (CAS 642961-34-0), with molecular formula C16H12IN3O2S and molecular weight 436.97 g/mol. IUPAC: N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide.
Chemical Property Profile of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
Property Insights of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
The XLogP value of 3.29828 indicates that N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide has 2 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 N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The CAS number of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is 642961-34-0.
What is the molecular formula of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The molecular formula of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is C16H12IN3O2S.
What is the molecular weight of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The molecular weight of N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is 436.97 g/mol.
Where can I buy N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
You can request a quote for N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.