BAS 12975058
TL;DR: BAS 12975058 (CAS 878429-58-4) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975058, 6-(3,4-dimethoxybenzyl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AP-501/43300369, A4046/0172554, 6-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.4694 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1072.4507 |
Chemical Identifiers
| CAS Number | 878429-58-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CC4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 12975058 (CAS 878429-58-4), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: 6-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975058
Property Insights of BAS 12975058
The XLogP value of 3.4694 indicates that BAS 12975058 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 12975058. Following Lipinski's Rule of Five, BAS 12975058 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 12975058?
The CAS number of BAS 12975058 is 878429-58-4.
What is the molecular formula of BAS 12975058?
The molecular formula of BAS 12975058 is C19H18N4O3S.
What is the molecular weight of BAS 12975058?
The molecular weight of BAS 12975058 is 382.11 g/mol.
Where can I buy BAS 12975058?
You can request a quote for BAS 12975058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975058?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.