BAS 00641312
TL;DR: BAS 00641312 (CAS 329279-76-7) is a chemical compound with molecular formula C18H17N3S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzyliminomethyl)-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: BAS 00641312, J1.473.574G, 1-Phenyl-3-methyl-4-(benzyliminomethyl)-1H-pyrazole-5-thiol, 4-[(benzylimino)methyl]-3-methyl-1-phenyl-1H-pyrazole-5-thiol, 4-[(benzylamino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
| Molecular Formula | C18H17N3S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 4.46241 |
| Topological Polar Surface Area | 33.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.11432 |
| Heavy Atoms | 22 |
| Complexity | 829.77374 |
Chemical Identifiers
| CAS Number | 329279-76-7 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NCC3=CC=CC=C3 |
Product Overview
BAS 00641312 (CAS 329279-76-7), with molecular formula C18H17N3S and molecular weight 307.11 g/mol. IUPAC: 4-(benzyliminomethyl)-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of BAS 00641312
Property Insights of BAS 00641312
The XLogP value of 4.46241 indicates that BAS 00641312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.08 Ų, BAS 00641312 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00641312 has 1 hydrogen bond donor(s) and 2 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 00641312?
The CAS number of BAS 00641312 is 329279-76-7.
What is the molecular formula of BAS 00641312?
The molecular formula of BAS 00641312 is C18H17N3S.
What is the molecular weight of BAS 00641312?
The molecular weight of BAS 00641312 is 307.11 g/mol.
Where can I buy BAS 00641312?
You can request a quote for BAS 00641312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641312?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.