BAS 01859600
TL;DR: BAS 01859600 (CAS 403658-62-8) is a chemical compound with molecular formula C17H13BrN4O3S and molecular weight 431.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: BAS 01859600, methyl 4-[(E)-({[3-(5-bromo-2-thienyl)-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]benzoate, (E)-methyl 4-((2-(3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, methyl 4-((1E)-2-{[3-(5-bromo(2-thienyl))pyrazol-5-yl]carbonylamino}-2-azaviny l)benzoate, METHYL 4-[(E)-({[3-(5-BROMOTHIOPHEN-2-YL)-1H-PYRAZOL-5-YL]FORMAMIDO}IMINO)METHYL]BENZOATE
| Molecular Formula | C17H13BrN4O3S |
|---|---|
| Molecular Weight | 431.99 g/mol |
| LogP | 3.4512 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.98917 |
| Heavy Atoms | 26 |
| Complexity | 962.5606 |
Chemical Identifiers
| CAS Number | 403658-62-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br |
Product Overview
BAS 01859600 (CAS 403658-62-8), with molecular formula C17H13BrN4O3S and molecular weight 431.99 g/mol. IUPAC: methyl 4-[(E)-[[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of BAS 01859600
Property Insights of BAS 01859600
The XLogP value of 3.4512 indicates that BAS 01859600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01859600. Following Lipinski's Rule of Five, BAS 01859600 has 2 hydrogen bond donor(s) and 6 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 01859600?
The CAS number of BAS 01859600 is 403658-62-8.
What is the molecular formula of BAS 01859600?
The molecular formula of BAS 01859600 is C17H13BrN4O3S.
What is the molecular weight of BAS 01859600?
The molecular weight of BAS 01859600 is 431.99 g/mol.
Where can I buy BAS 01859600?
You can request a quote for BAS 01859600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01859600?
Yes, KEHONG BIO provides custom synthesis services for BAS 01859600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.