BAS 03930790
TL;DR: BAS 03930790 (CAS 558449-59-5) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 03930790, N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.4245 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 958.84357 |
Chemical Identifiers
| CAS Number | 558449-59-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
Product Overview
BAS 03930790 (CAS 558449-59-5), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 03930790
Property Insights of BAS 03930790
The XLogP value of 3.4245 indicates that BAS 03930790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03930790. Following Lipinski's Rule of Five, BAS 03930790 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 03930790?
The CAS number of BAS 03930790 is 558449-59-5.
What is the molecular formula of BAS 03930790?
The molecular formula of BAS 03930790 is C19H18N4O3S.
What is the molecular weight of BAS 03930790?
The molecular weight of BAS 03930790 is 382.11 g/mol.
Where can I buy BAS 03930790?
You can request a quote for BAS 03930790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03930790?
Yes, KEHONG BIO provides custom synthesis services for BAS 03930790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.