BAS 12665363
TL;DR: BAS 12665363 (CAS 862116-89-0) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 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-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 12665363, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.5992 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1065.3684 |
Chemical Identifiers
| CAS Number | 862116-89-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 12665363 (CAS 862116-89-0), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 12665363
Property Insights of BAS 12665363
The XLogP value of 3.5992 indicates that BAS 12665363 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12665363. Following Lipinski's Rule of Five, BAS 12665363 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 12665363?
The CAS number of BAS 12665363 is 862116-89-0.
What is the molecular formula of BAS 12665363?
The molecular formula of BAS 12665363 is C21H20N4O4S.
What is the molecular weight of BAS 12665363?
The molecular weight of BAS 12665363 is 424.12 g/mol.
Where can I buy BAS 12665363?
You can request a quote for BAS 12665363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12665363?
Yes, KEHONG BIO provides custom synthesis services for BAS 12665363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.