![3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide structure](/static/products/791/791795-16-9.png)
3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide
TL;DR: 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide (CAS 791795-16-9) is a chemical compound with molecular formula C16H15IN2O2S and molecular weight 425.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide
Also Known As: AN-329/42667810, 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide, 3-iodo-N-{[(2-methoxyphenyl)amino]carbonothioyl}-4-methylbenzamide, N-(3-iodo-4-methylbenzoyl)-N'-(2-methoxyphenyl)thiourea
| Molecular Formula | C16H15IN2O2S |
|---|---|
| Molecular Weight | 425.99 g/mol |
| LogP | 3.73502 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.9899 |
| Heavy Atoms | 22 |
| Complexity | 719.04205 |
Chemical Identifiers
| CAS Number | 791795-16-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC)I |
Product Overview
3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide (CAS 791795-16-9), with molecular formula C16H15IN2O2S and molecular weight 425.99 g/mol. IUPAC: 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide
Property Insights of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.73502 indicates that 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-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, 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-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 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide?
The CAS number of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide is 791795-16-9.
What is the molecular formula of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide?
The molecular formula of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide is C16H15IN2O2S.
What is the molecular weight of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide?
The molecular weight of 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide is 425.99 g/mol.
Where can I buy 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide?
You can request a quote for 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-N-[(2-methoxyphenyl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.