BAS 10123962
TL;DR: BAS 10123962 (CAS 791806-20-7) is a chemical compound with molecular formula C18H13ClN4O2S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123962, 6-(4-chlorobenzyl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113393, 6-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorobenzyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C18H13ClN4O2S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 3.9425 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.04477 |
| Heavy Atoms | 26 |
| Complexity | 1076.4419 |
Chemical Identifiers
| CAS Number | 791806-20-7 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)CC5=CC=C(C=C5)Cl |
Product Overview
BAS 10123962 (CAS 791806-20-7), with molecular formula C18H13ClN4O2S and molecular weight 384.04 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10123962
Property Insights of BAS 10123962
The XLogP value of 3.9425 indicates that BAS 10123962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10123962. Following Lipinski's Rule of Five, BAS 10123962 has 0 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 10123962?
The CAS number of BAS 10123962 is 791806-20-7.
What is the molecular formula of BAS 10123962?
The molecular formula of BAS 10123962 is C18H13ClN4O2S.
What is the molecular weight of BAS 10123962?
The molecular weight of BAS 10123962 is 384.04 g/mol.
Where can I buy BAS 10123962?
You can request a quote for BAS 10123962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10123962?
Yes, KEHONG BIO provides custom synthesis services for BAS 10123962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.