BAS 02138589
TL;DR: BAS 02138589 (CAS 333313-77-2) is a chemical compound with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02138589, 5-[[(3-Chloro-4-methylphenyl)amino]methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, 3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[(3-chloro-4-methylanilino)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C11H13ClN4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 3.05161 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.05493 |
| Heavy Atoms | 17 |
| Complexity | 587.39764 |
Chemical Identifiers
| CAS Number | 333313-77-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC2=NNC(=S)N2C)Cl |
Product Overview
BAS 02138589 (CAS 333313-77-2), with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol. IUPAC: 3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 02138589
Property Insights of BAS 02138589
The XLogP value of 3.05161 indicates that BAS 02138589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.64 Ų, BAS 02138589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02138589 has 2 hydrogen bond donor(s) and 3 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 02138589?
The CAS number of BAS 02138589 is 333313-77-2.
What is the molecular formula of BAS 02138589?
The molecular formula of BAS 02138589 is C11H13ClN4S.
What is the molecular weight of BAS 02138589?
The molecular weight of BAS 02138589 is 268.05 g/mol.
Where can I buy BAS 02138589?
You can request a quote for BAS 02138589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138589?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.