BAS 04027521
TL;DR: BAS 04027521 (CAS 557065-77-7) is a chemical compound with molecular formula C18H18N6O2S and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04027521, N-[4-(acetylamino)phenyl]-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ac etamide, N-(4-acetamidophenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[4-(ACETYLAMINO)PHENYL]-2-{[4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C18H18N6O2S |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.5663 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1212 |
| Heavy Atoms | 27 |
| Complexity | 940.24554 |
Chemical Identifiers
| CAS Number | 557065-77-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3 |
Product Overview
BAS 04027521 (CAS 557065-77-7), with molecular formula C18H18N6O2S and molecular weight 382.12 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04027521
Property Insights of BAS 04027521
The XLogP value of 2.5663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04027521. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04027521. Following Lipinski's Rule of Five, BAS 04027521 has 2 hydrogen bond donor(s) and 6 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 04027521?
The CAS number of BAS 04027521 is 557065-77-7.
What is the molecular formula of BAS 04027521?
The molecular formula of BAS 04027521 is C18H18N6O2S.
What is the molecular weight of BAS 04027521?
The molecular weight of BAS 04027521 is 382.12 g/mol.
Where can I buy BAS 04027521?
You can request a quote for BAS 04027521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04027521?
Yes, KEHONG BIO provides custom synthesis services for BAS 04027521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.