A3211/0136163
TL;DR: A3211/0136163 (CAS 397291-42-8) is a chemical compound with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: A3211/0136163, 2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one, F0820-0402, 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, 2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
| Molecular Formula | C26H22BrN3O4S |
|---|---|
| Molecular Weight | 551.05 g/mol |
| LogP | 5.8417 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.05145 |
| Heavy Atoms | 35 |
| Complexity | 1339.9716 |
Chemical Identifiers
| CAS Number | 397291-42-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Br |
Product Overview
A3211/0136163 (CAS 397291-42-8), with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of A3211/0136163
Property Insights of A3211/0136163
The XLogP value of 5.8417 indicates that A3211/0136163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A3211/0136163. Following Lipinski's Rule of Five, A3211/0136163 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3211/0136163?
The CAS number of A3211/0136163 is 397291-42-8.
What is the molecular formula of A3211/0136163?
The molecular formula of A3211/0136163 is C26H22BrN3O4S.
What is the molecular weight of A3211/0136163?
The molecular weight of A3211/0136163 is 551.05 g/mol.
Where can I buy A3211/0136163?
You can request a quote for A3211/0136163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3211/0136163?
Yes, KEHONG BIO provides custom synthesis services for A3211/0136163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.