BAS 12238975
TL;DR: BAS 12238975 (CAS 728024-18-8) is a chemical compound with molecular formula C15H15ClN6O2S and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazole
Also Known As: BAS 12238975, A3848/0163471, 3-[(3-chlorobenzyl)sulfanyl]-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole, 3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazole, 3-((3-chlorobenzyl)thio)-4-methyl-5-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-4H-1,2,4-triazole
| Molecular Formula | C15H15ClN6O2S |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 3.22222 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.06656 |
| Heavy Atoms | 25 |
| Complexity | 922.6399 |
Chemical Identifiers
| CAS Number | 728024-18-8 |
|---|---|
| SMILES | CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC(=CC=C3)Cl)[N+](=O)[O-] |
Product Overview
BAS 12238975 (CAS 728024-18-8), with molecular formula C15H15ClN6O2S and molecular weight 378.07 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazole.
Chemical Property Profile of BAS 12238975
Property Insights of BAS 12238975
The XLogP value of 3.22222 indicates that BAS 12238975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12238975. Following Lipinski's Rule of Five, BAS 12238975 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 12238975?
The CAS number of BAS 12238975 is 728024-18-8.
What is the molecular formula of BAS 12238975?
The molecular formula of BAS 12238975 is C15H15ClN6O2S.
What is the molecular weight of BAS 12238975?
The molecular weight of BAS 12238975 is 378.07 g/mol.
Where can I buy BAS 12238975?
You can request a quote for BAS 12238975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12238975?
Yes, KEHONG BIO provides custom synthesis services for BAS 12238975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.