2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide
TL;DR: 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide (CAS 446824-99-3) is a chemical compound with molecular formula C12H15ClN2O2S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide
Also Known As: 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide, N-(2-chlorobenzoyl)-N'-(3-methoxypropyl)thiourea, AS-871/41049390, 2-chloro-N-((3-methoxypropyl)carbamothioyl)benzamide, F3110-0169
| Molecular Formula | C12H15ClN2O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.9808 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.0543 |
| Heavy Atoms | 18 |
| Complexity | 426.29337 |
Chemical Identifiers
| CAS Number | 446824-99-3 |
|---|---|
| SMILES | COCCCNC(=S)NC(=O)C1=CC=CC=C1Cl |
Product Overview
2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide (CAS 446824-99-3), with molecular formula C12H15ClN2O2S and molecular weight 286.05 g/mol. IUPAC: 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide.
Chemical Property Profile of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide
Property Insights of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide
The XLogP value of 1.9808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 50.36 Ų, 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide 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 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide?
The CAS number of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide is 446824-99-3.
What is the molecular formula of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide?
The molecular formula of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide is C12H15ClN2O2S.
What is the molecular weight of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide?
The molecular weight of 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide is 286.05 g/mol.
Where can I buy 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide?
You can request a quote for 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3-methoxypropylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.