BAS 10124312
TL;DR: BAS 10124312 (CAS 876712-65-1) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-tert-butylphenoxy)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 10124312, 6-((4-(tert-butyl)phenoxy)methyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-TERT-BUTYLPHENOXY)METHYL]-3-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.5748 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1177.2864 |
Chemical Identifiers
| CAS Number | 876712-65-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4COC5=CC=CC=C5O4 |
Product Overview
BAS 10124312 (CAS 876712-65-1), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 6-[(4-tert-butylphenoxy)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 10124312
Property Insights of BAS 10124312
The XLogP value of 4.5748 indicates that BAS 10124312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10124312. Following Lipinski's Rule of Five, BAS 10124312 has 0 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 10124312?
The CAS number of BAS 10124312 is 876712-65-1.
What is the molecular formula of BAS 10124312?
The molecular formula of BAS 10124312 is C22H22N4O3S.
What is the molecular weight of BAS 10124312?
The molecular weight of BAS 10124312 is 422.14 g/mol.
Where can I buy BAS 10124312?
You can request a quote for BAS 10124312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10124312?
Yes, KEHONG BIO provides custom synthesis services for BAS 10124312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.