BAS 00545631
TL;DR: BAS 00545631 (CAS 377061-23-9) is a chemical compound with molecular formula C23H18ClN5O and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1-phenyl-N-(4-phenyldiazenylphenyl)pyrazole-4-carboxamide
Also Known As: BAS 00545631, 5-chloro-3-methyl-1-phenyl-N-{4-[(E)-phenyldiazenyl]phenyl}-1H-pyrazole-4-carboxamide, 5-chloro-3-methyl-1-phenyl-N-(4-phenyldiazenylphenyl)pyrazole-4-carboxamide, (E)-5-chloro-3-methyl-1-phenyl-N-(4-(phenyldiazenyl)phenyl)-1H-pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, 5-chloro-3-methyl-1-phenyl-N-[4-(2-phenyldiazenyl)phenyl]-
| Molecular Formula | C23H18ClN5O |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 6.50182 |
| Topological Polar Surface Area | 71.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.12 |
| Heavy Atoms | 30 |
| Complexity | 1185.7628 |
Chemical Identifiers
| CAS Number | 377061-23-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)Cl)C4=CC=CC=C4 |
Product Overview
BAS 00545631 (CAS 377061-23-9), with molecular formula C23H18ClN5O and molecular weight 415.12 g/mol. IUPAC: 5-chloro-3-methyl-1-phenyl-N-(4-phenyldiazenylphenyl)pyrazole-4-carboxamide.
Chemical Property Profile of BAS 00545631
Property Insights of BAS 00545631
The XLogP value of 6.50182 indicates that BAS 00545631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00545631. Following Lipinski's Rule of Five, BAS 00545631 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00545631?
The CAS number of BAS 00545631 is 377061-23-9.
What is the molecular formula of BAS 00545631?
The molecular formula of BAS 00545631 is C23H18ClN5O.
What is the molecular weight of BAS 00545631?
The molecular weight of BAS 00545631 is 415.12 g/mol.
Where can I buy BAS 00545631?
You can request a quote for BAS 00545631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545631?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.