BAS 00793893
TL;DR: BAS 00793893 (CAS 1164525-42-1) is a chemical compound with molecular formula C25H19ClN4O3 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
Also Known As: BAS 00793893, (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide, (2E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide, (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acrylamide, 3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-acrylamide
| Molecular Formula | C25H19ClN4O3 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 4.9435 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.11456 |
| Heavy Atoms | 33 |
| Complexity | 1452.2927 |
Chemical Identifiers
| CAS Number | 1164525-42-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C#N |
Product Overview
BAS 00793893 (CAS 1164525-42-1), with molecular formula C25H19ClN4O3 and molecular weight 458.11 g/mol. IUPAC: (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide.
Chemical Property Profile of BAS 00793893
Property Insights of BAS 00793893
The XLogP value of 4.9435 indicates that BAS 00793893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00793893. Following Lipinski's Rule of Five, BAS 00793893 has 1 hydrogen bond donor(s) and 4 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 BAS 00793893?
The CAS number of BAS 00793893 is 1164525-42-1.
What is the molecular formula of BAS 00793893?
The molecular formula of BAS 00793893 is C25H19ClN4O3.
What is the molecular weight of BAS 00793893?
The molecular weight of BAS 00793893 is 458.11 g/mol.
Where can I buy BAS 00793893?
You can request a quote for BAS 00793893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00793893?
Yes, KEHONG BIO provides custom synthesis services for BAS 00793893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.