BAS 01810013
TL;DR: BAS 01810013 (CAS 315230-14-9) is a chemical compound with molecular formula C25H21N5O4S and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: BAS 01810013, (E)-2-((2-(2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 2-((1E)-2-{2-[5-(4-methoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]acetylamino }-2-azavinyl)benzoic acid, 2-[(E)-[(2-{[5-(4-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)IMINO]METHYL]BENZOIC ACID, 2-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C25H21N5O4S |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 3.8835 |
| Topological Polar Surface Area | 118.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.13144 |
| Heavy Atoms | 35 |
| Complexity | 1354.052 |
Chemical Identifiers
| CAS Number | 315230-14-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
BAS 01810013 (CAS 315230-14-9), with molecular formula C25H21N5O4S and molecular weight 487.13 g/mol. IUPAC: 2-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of BAS 01810013
Property Insights of BAS 01810013
The XLogP value of 3.8835 indicates that BAS 01810013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810013. Following Lipinski's Rule of Five, BAS 01810013 has 2 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 BAS 01810013?
The CAS number of BAS 01810013 is 315230-14-9.
What is the molecular formula of BAS 01810013?
The molecular formula of BAS 01810013 is C25H21N5O4S.
What is the molecular weight of BAS 01810013?
The molecular weight of BAS 01810013 is 487.13 g/mol.
Where can I buy BAS 01810013?
You can request a quote for BAS 01810013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810013?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.