BAS 01816164
TL;DR: BAS 01816164 (CAS 332909-62-3) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01816164, N-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide, N-(2,5-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,5-dimethoxyphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio) )acetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.2741 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 991.0367 |
Chemical Identifiers
| CAS Number | 332909-62-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 |
Product Overview
BAS 01816164 (CAS 332909-62-3), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01816164
Property Insights of BAS 01816164
The XLogP value of 3.2741 indicates that BAS 01816164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01816164. Following Lipinski's Rule of Five, BAS 01816164 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 01816164?
The CAS number of BAS 01816164 is 332909-62-3.
What is the molecular formula of BAS 01816164?
The molecular formula of BAS 01816164 is C20H21N5O3S.
What is the molecular weight of BAS 01816164?
The molecular weight of BAS 01816164 is 411.14 g/mol.
Where can I buy BAS 01816164?
You can request a quote for BAS 01816164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816164?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.