(Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide
TL;DR: (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide (CAS 299936-64-4) is a chemical compound with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide
Also Known As: (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide, (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-cyanoprop-2-enethioamide, (Z)-3-((4-chloro-2,5-dimethoxyphenyl)amino)-2-cyanoprop-2-enethioamide
| Molecular Formula | C12H12ClN3O2S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 2.46268 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.03387 |
| Heavy Atoms | 19 |
| Complexity | 566.8283 |
Chemical Identifiers
| CAS Number | 299936-64-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N/C=C(/C#N)\C(=S)N)OC)Cl |
Product Overview
(Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide (CAS 299936-64-4), with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol. IUPAC: (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide
Property Insights of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide
The XLogP value of 2.46268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide has 2 hydrogen bond donor(s) and 5 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 (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide?
The CAS number of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide is 299936-64-4.
What is the molecular formula of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide?
The molecular formula of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide is C12H12ClN3O2S.
What is the molecular weight of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide?
The molecular weight of (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide is 297.03 g/mol.
Where can I buy (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide?
You can request a quote for (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.