A4007/0170847
TL;DR: A4007/0170847 (CAS 956786-76-8) is a chemical compound with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-cyano-4,5-diethoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
Also Known As: A4007/0170847, methyl 3-((2-cyano-4,5-diethoxyphenyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylate, METHYL 3-[(2-CYANO-4,5-DIETHOXYANILINO)CARBONYL]-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE, methyl 3-[(2-cyano-4,5-diethoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate, methyl 3-[N-(2-cyano-4,5-diethoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxyl ate
| Molecular Formula | C18H20N4O5 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 2.12808 |
| Topological Polar Surface Area | 115.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.14337 |
| Heavy Atoms | 27 |
| Complexity | 897.88745 |
Chemical Identifiers
| CAS Number | 956786-76-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=NN(C(=C2)C(=O)OC)C)OCC |
Product Overview
A4007/0170847 (CAS 956786-76-8), with molecular formula C18H20N4O5 and molecular weight 372.14 g/mol. IUPAC: methyl 3-[(2-cyano-4,5-diethoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of A4007/0170847
Property Insights of A4007/0170847
The XLogP value of 2.12808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4007/0170847. The TPSA of 115.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A4007/0170847. Following Lipinski's Rule of Five, A4007/0170847 has 1 hydrogen bond donor(s) and 7 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 A4007/0170847?
The CAS number of A4007/0170847 is 956786-76-8.
What is the molecular formula of A4007/0170847?
The molecular formula of A4007/0170847 is C18H20N4O5.
What is the molecular weight of A4007/0170847?
The molecular weight of A4007/0170847 is 372.14 g/mol.
Where can I buy A4007/0170847?
You can request a quote for A4007/0170847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4007/0170847?
Yes, KEHONG BIO provides custom synthesis services for A4007/0170847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.