BAS 02053435
TL;DR: BAS 02053435 (CAS 332947-90-7) is a chemical compound with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 02053435, methyl 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ME ((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE
| Molecular Formula | C18H16ClN3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 4.16122 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0652 |
| Heavy Atoms | 25 |
| Complexity | 876.34174 |
Chemical Identifiers
| CAS Number | 332947-90-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=C(C=C3)Cl |
Product Overview
BAS 02053435 (CAS 332947-90-7), with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol. IUPAC: methyl 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 02053435
Property Insights of BAS 02053435
The XLogP value of 4.16122 indicates that BAS 02053435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, BAS 02053435 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053435 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 02053435?
The CAS number of BAS 02053435 is 332947-90-7.
What is the molecular formula of BAS 02053435?
The molecular formula of BAS 02053435 is C18H16ClN3O2S.
What is the molecular weight of BAS 02053435?
The molecular weight of BAS 02053435 is 373.07 g/mol.
Where can I buy BAS 02053435?
You can request a quote for BAS 02053435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053435?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.