BAS 10123674
TL;DR: BAS 10123674 (CAS 577699-79-7) is a chemical compound with molecular formula C18H15ClN4O3S and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123674, 6-(2-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AA-504/33803010, 5-[6-(2-chlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-3-yl)]-1,2,3-tri methoxybenzene
| Molecular Formula | C18H15ClN4O3S |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 4.199 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.05533 |
| Heavy Atoms | 27 |
| Complexity | 1099.948 |
Chemical Identifiers
| CAS Number | 577699-79-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(S3)C4=CC=CC=C4Cl |
Product Overview
BAS 10123674 (CAS 577699-79-7), with molecular formula C18H15ClN4O3S and molecular weight 402.06 g/mol. IUPAC: 6-(2-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10123674
Property Insights of BAS 10123674
The XLogP value of 4.199 indicates that BAS 10123674 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 10123674. Following Lipinski's Rule of Five, BAS 10123674 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 10123674?
The CAS number of BAS 10123674 is 577699-79-7.
What is the molecular formula of BAS 10123674?
The molecular formula of BAS 10123674 is C18H15ClN4O3S.
What is the molecular weight of BAS 10123674?
The molecular weight of BAS 10123674 is 402.06 g/mol.
Where can I buy BAS 10123674?
You can request a quote for BAS 10123674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10123674?
Yes, KEHONG BIO provides custom synthesis services for BAS 10123674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.