BAS 00656727
TL;DR: BAS 00656727 (CAS 217787-89-8) is a chemical compound with molecular formula C17H14BrN3S and molecular weight 371.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: BAS 00656727, 4-[(2-bromoanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4Z)-4-[(2-bromoanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (Z)-4-(((2-bromophenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazole-5(4H)-thione, 4-[(2-bromoanilino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione
| Molecular Formula | C17H14BrN3S |
|---|---|
| Molecular Weight | 371.01 g/mol |
| LogP | 5.35641 |
| Topological Polar Surface Area | 33.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.0092 |
| Heavy Atoms | 22 |
| Complexity | 878.41974 |
Chemical Identifiers
| CAS Number | 217787-89-8 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=CC=C3Br |
Product Overview
BAS 00656727 (CAS 217787-89-8), with molecular formula C17H14BrN3S and molecular weight 371.01 g/mol. IUPAC: 4-[(2-bromophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of BAS 00656727
Property Insights of BAS 00656727
The XLogP value of 5.35641 indicates that BAS 00656727 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 00656727 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00656727 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00656727?
The CAS number of BAS 00656727 is 217787-89-8.
What is the molecular formula of BAS 00656727?
The molecular formula of BAS 00656727 is C17H14BrN3S.
What is the molecular weight of BAS 00656727?
The molecular weight of BAS 00656727 is 371.01 g/mol.
Where can I buy BAS 00656727?
You can request a quote for BAS 00656727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00656727?
Yes, KEHONG BIO provides custom synthesis services for BAS 00656727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.