3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide
TL;DR: 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide (CAS 849060-82-8) is a chemical compound with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide
Also Known As: 3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-cyanoprop-2-enethioamide, 3-(4-chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide
| Molecular Formula | C8H7ClN4S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 1.26658 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.008 |
| Heavy Atoms | 14 |
| Complexity | 440.68402 |
Chemical Identifiers
| CAS Number | 849060-82-8 |
|---|---|
| SMILES | CN1C=C(C(=N1)C=C(C#N)C(=S)N)Cl |
Product Overview
3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide (CAS 849060-82-8), with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol. IUPAC: 3-(4-chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide
Property Insights of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide
The XLogP value of 1.26658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide has 1 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-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide?
The CAS number of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide is 849060-82-8.
What is the molecular formula of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide?
The molecular formula of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide is C8H7ClN4S.
What is the molecular weight of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide?
The molecular weight of 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide is 226.01 g/mol.
Where can I buy 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide?
You can request a quote for 3-(4-Chloro-1-methylpyrazol-3-yl)-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 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.