BAS 02071306
TL;DR: BAS 02071306 (CAS 432508-71-9) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02071306, AB00119969-01, ethyl 4-[({[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.2675 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 973.54156 |
Chemical Identifiers
| CAS Number | 432508-71-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=NC=C3 |
Product Overview
BAS 02071306 (CAS 432508-71-9), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: ethyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02071306
Property Insights of BAS 02071306
The XLogP value of 3.2675 indicates that BAS 02071306 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 02071306. Following Lipinski's Rule of Five, BAS 02071306 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 02071306?
The CAS number of BAS 02071306 is 432508-71-9.
What is the molecular formula of BAS 02071306?
The molecular formula of BAS 02071306 is C20H21N5O3S.
What is the molecular weight of BAS 02071306?
The molecular weight of BAS 02071306 is 411.14 g/mol.
Where can I buy BAS 02071306?
You can request a quote for BAS 02071306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02071306?
Yes, KEHONG BIO provides custom synthesis services for BAS 02071306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.