BAS 14583811
TL;DR: BAS 14583811 (CAS 879052-47-8) is a chemical compound with molecular formula C17H12Cl2N4OS and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 14583811, A4091/0174411, 3-(2,4-dichlorophenyl)-6-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H12Cl2N4OS |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 4.759 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0109 |
| Heavy Atoms | 25 |
| Complexity | 1042.6765 |
Chemical Identifiers
| CAS Number | 879052-47-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 14583811 (CAS 879052-47-8), with molecular formula C17H12Cl2N4OS and molecular weight 390.01 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 14583811
Property Insights of BAS 14583811
The XLogP value of 4.759 indicates that BAS 14583811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, BAS 14583811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 14583811 has 0 hydrogen bond donor(s) and 5 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 14583811?
The CAS number of BAS 14583811 is 879052-47-8.
What is the molecular formula of BAS 14583811?
The molecular formula of BAS 14583811 is C17H12Cl2N4OS.
What is the molecular weight of BAS 14583811?
The molecular weight of BAS 14583811 is 390.01 g/mol.
Where can I buy BAS 14583811?
You can request a quote for BAS 14583811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14583811?
Yes, KEHONG BIO provides custom synthesis services for BAS 14583811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.