BAS 02859397
TL;DR: BAS 02859397 (CAS 362491-58-5) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-N-methyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: BAS 02859397, 5-(4-methoxyphenyl)-N-methyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-(4-methoxyphenyl)-N-methyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, [5-(4-methoxyphenyl)-3-(2-thienyl)(2-pyrazolinyl)](methylamino)methane-1-thion e, 5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazole-1-carbothioic acid methylamide
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.4121 |
| Topological Polar Surface Area | 36.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 679.9263 |
Chemical Identifiers
| CAS Number | 362491-58-5 |
|---|---|
| SMILES | CNC(=S)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC |
Product Overview
BAS 02859397 (CAS 362491-58-5), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 3-(4-methoxyphenyl)-N-methyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of BAS 02859397
Property Insights of BAS 02859397
The XLogP value of 3.4121 indicates that BAS 02859397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.86 Ų, BAS 02859397 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02859397 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 02859397?
The CAS number of BAS 02859397 is 362491-58-5.
What is the molecular formula of BAS 02859397?
The molecular formula of BAS 02859397 is C16H17N3OS2.
What is the molecular weight of BAS 02859397?
The molecular weight of BAS 02859397 is 331.08 g/mol.
Where can I buy BAS 02859397?
You can request a quote for BAS 02859397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02859397?
Yes, KEHONG BIO provides custom synthesis services for BAS 02859397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.