BAS 02749650
TL;DR: BAS 02749650 (CAS 333418-54-5) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02749650, ethyl 4-[({[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[({[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.7846 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 957.46027 |
Chemical Identifiers
| CAS Number | 333418-54-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3 |
Product Overview
BAS 02749650 (CAS 333418-54-5), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: ethyl 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02749650
Property Insights of BAS 02749650
The XLogP value of 2.7846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02749650. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02749650. Following Lipinski's Rule of Five, BAS 02749650 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 02749650?
The CAS number of BAS 02749650 is 333418-54-5.
What is the molecular formula of BAS 02749650?
The molecular formula of BAS 02749650 is C19H19N5O3S.
What is the molecular weight of BAS 02749650?
The molecular weight of BAS 02749650 is 397.12 g/mol.
Where can I buy BAS 02749650?
You can request a quote for BAS 02749650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02749650?
Yes, KEHONG BIO provides custom synthesis services for BAS 02749650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.