BAS 02054371
TL;DR: BAS 02054371 (CAS 338425-11-9) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02054371, methyl 4-({[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-(2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 3.8467 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1211.6376 |
Chemical Identifiers
| CAS Number | 338425-11-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
BAS 02054371 (CAS 338425-11-9), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: methyl 4-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02054371
Property Insights of BAS 02054371
The XLogP value of 3.8467 indicates that BAS 02054371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054371. Following Lipinski's Rule of Five, BAS 02054371 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 02054371?
The CAS number of BAS 02054371 is 338425-11-9.
What is the molecular formula of BAS 02054371?
The molecular formula of BAS 02054371 is C23H19N5O3S.
What is the molecular weight of BAS 02054371?
The molecular weight of BAS 02054371 is 445.12 g/mol.
Where can I buy BAS 02054371?
You can request a quote for BAS 02054371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054371?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.