BAS 01809440
TL;DR: BAS 01809440 (CAS 315217-14-2) is a chemical compound with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[[2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: BAS 01809440, (Z)-4-((2-(2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 4-[(Z)-[[2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
| Molecular Formula | C26H23N5O5S |
|---|---|
| Molecular Weight | 517.14 g/mol |
| LogP | 3.8921 |
| Topological Polar Surface Area | 127.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.14197 |
| Heavy Atoms | 37 |
| Complexity | 1421.3103 |
Chemical Identifiers
| CAS Number | 315217-14-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C\C4=CC=C(C=C4)C(=O)O)OC |
Product Overview
BAS 01809440 (CAS 315217-14-2), with molecular formula C26H23N5O5S and molecular weight 517.14 g/mol. IUPAC: 4-[(Z)-[[2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of BAS 01809440
Property Insights of BAS 01809440
The XLogP value of 3.8921 indicates that BAS 01809440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01809440. Following Lipinski's Rule of Five, BAS 01809440 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01809440?
The CAS number of BAS 01809440 is 315217-14-2.
What is the molecular formula of BAS 01809440?
The molecular formula of BAS 01809440 is C26H23N5O5S.
What is the molecular weight of BAS 01809440?
The molecular weight of BAS 01809440 is 517.14 g/mol.
Where can I buy BAS 01809440?
You can request a quote for BAS 01809440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01809440?
Yes, KEHONG BIO provides custom synthesis services for BAS 01809440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.