BAS 04027431
TL;DR: BAS 04027431 (CAS 557065-73-3) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 04027431, methyl 4-[({[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-[2-(4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoat e
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 2.3945 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 941.39075 |
Chemical Identifiers
| CAS Number | 557065-73-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CN=CC=C3 |
Product Overview
BAS 04027431 (CAS 557065-73-3), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: methyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 04027431
Property Insights of BAS 04027431
The XLogP value of 2.3945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04027431. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04027431. Following Lipinski's Rule of Five, BAS 04027431 has 1 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 04027431?
The CAS number of BAS 04027431 is 557065-73-3.
What is the molecular formula of BAS 04027431?
The molecular formula of BAS 04027431 is C18H17N5O3S.
What is the molecular weight of BAS 04027431?
The molecular weight of BAS 04027431 is 383.11 g/mol.
Where can I buy BAS 04027431?
You can request a quote for BAS 04027431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04027431?
Yes, KEHONG BIO provides custom synthesis services for BAS 04027431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.