BAS 02138325
TL;DR: BAS 02138325 (CAS 107951-98-4) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02138325, 3-Bromo-4-chloro-benzoic acid methyl ester, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylphenyl)-, 2,4-Dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.82591 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 835.5251 |
Chemical Identifiers
| CAS Number | 107951-98-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)OC |
Product Overview
BAS 02138325 (CAS 107951-98-4), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 3-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 02138325
Property Insights of BAS 02138325
The XLogP value of 3.82591 indicates that BAS 02138325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, BAS 02138325 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02138325 has 1 hydrogen bond donor(s) and 4 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 02138325?
The CAS number of BAS 02138325 is 107951-98-4.
What is the molecular formula of BAS 02138325?
The molecular formula of BAS 02138325 is C17H17N3O2S.
What is the molecular weight of BAS 02138325?
The molecular weight of BAS 02138325 is 327.10 g/mol.
Where can I buy BAS 02138325?
You can request a quote for BAS 02138325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02138325?
Yes, KEHONG BIO provides custom synthesis services for BAS 02138325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.