BAS 02617551
TL;DR: BAS 02617551 (CAS 493023-63-5) 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.
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 02617551, 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, 2-[4-methyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-nitrophenyl)aceta mide, N-{4-nitrophenyl}-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.42952 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 967.6671 |
Chemical Identifiers
| CAS Number | 493023-63-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 02617551 (CAS 493023-63-5), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 02617551
Property Insights of BAS 02617551
The XLogP value of 3.42952 indicates that BAS 02617551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02617551. Following Lipinski's Rule of Five, BAS 02617551 has 1 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 02617551?
The CAS number of BAS 02617551 is 493023-63-5.
What is the molecular formula of BAS 02617551?
The molecular formula of BAS 02617551 is C18H17N5O3S.
What is the molecular weight of BAS 02617551?
The molecular weight of BAS 02617551 is 383.11 g/mol.
Where can I buy BAS 02617551?
You can request a quote for BAS 02617551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02617551?
Yes, KEHONG BIO provides custom synthesis services for BAS 02617551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.