BAS 00417387
TL;DR: BAS 00417387 (CAS 331457-72-8) is a chemical compound with molecular formula C20H14BrN5O3S and molecular weight 483.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: BAS 00417387, AN-329/10529023, 4-({1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl}diazenyl)benzoic acid, 4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid, (E)-4-((1-(4-(4-bromophenyl)thiazol-2-yl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid
| Molecular Formula | C20H14BrN5O3S |
|---|---|
| Molecular Weight | 483.00 g/mol |
| LogP | 5.1458 |
| Topological Polar Surface Area | 107.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.00006 |
| Heavy Atoms | 30 |
| Complexity | 1171.9125 |
Chemical Identifiers
| CAS Number | 331457-72-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)Br |
Product Overview
BAS 00417387 (CAS 331457-72-8), with molecular formula C20H14BrN5O3S and molecular weight 483.00 g/mol. IUPAC: 4-[[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of BAS 00417387
Property Insights of BAS 00417387
The XLogP value of 5.1458 indicates that BAS 00417387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.58 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417387. Following Lipinski's Rule of Five, BAS 00417387 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00417387?
The CAS number of BAS 00417387 is 331457-72-8.
What is the molecular formula of BAS 00417387?
The molecular formula of BAS 00417387 is C20H14BrN5O3S.
What is the molecular weight of BAS 00417387?
The molecular weight of BAS 00417387 is 483.00 g/mol.
Where can I buy BAS 00417387?
You can request a quote for BAS 00417387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417387?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.