![2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide structure](/static/products/815/815653-00-0.png)
2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide
TL;DR: 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide (CAS 815653-00-0) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide
Also Known As: AN-329/43385997, 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide, 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide, 2-({[(2E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-N-(propan-2-yl)benzamide, 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbonothioyl)amino]-N-isopropylbenzamide
| Molecular Formula | C20H20ClN3O2S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.0046 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.09647 |
| Heavy Atoms | 27 |
| Complexity | 881.03546 |
Chemical Identifiers
| CAS Number | 815653-00-0 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl |
Product Overview
2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide (CAS 815653-00-0), with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol. IUPAC: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide.
Chemical Property Profile of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide
Property Insights of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide
The XLogP value of 4.0046 indicates that 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide. Following Lipinski's Rule of Five, 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide has 3 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-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide?
The CAS number of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide is 815653-00-0.
What is the molecular formula of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide?
The molecular formula of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide is C20H20ClN3O2S.
What is the molecular weight of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide?
The molecular weight of 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide is 401.10 g/mol.
Where can I buy 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide?
You can request a quote for 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]-N-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.