BAS 00656740
TL;DR: BAS 00656740 (CAS 217788-03-9) is a chemical compound with molecular formula C17H14IN3S and molecular weight 419.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-iodophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: BAS 00656740, 4-[(2-iodoanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (4Z)-4-[(2-iodoanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, (Z)-4-(((2-iodophenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazole-5(4H)-thione, (4Z)-4-{[(2-iodophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione
| Molecular Formula | C17H14IN3S |
|---|---|
| Molecular Weight | 419.00 g/mol |
| LogP | 5.19851 |
| Topological Polar Surface Area | 33.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.99533 |
| Heavy Atoms | 22 |
| Complexity | 878.41974 |
Chemical Identifiers
| CAS Number | 217788-03-9 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=CC=CC=C3I |
Product Overview
BAS 00656740 (CAS 217788-03-9), with molecular formula C17H14IN3S and molecular weight 419.00 g/mol. IUPAC: 4-[(2-iodophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of BAS 00656740
Property Insights of BAS 00656740
The XLogP value of 5.19851 indicates that BAS 00656740 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 00656740 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00656740 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 00656740?
The CAS number of BAS 00656740 is 217788-03-9.
What is the molecular formula of BAS 00656740?
The molecular formula of BAS 00656740 is C17H14IN3S.
What is the molecular weight of BAS 00656740?
The molecular weight of BAS 00656740 is 419.00 g/mol.
Where can I buy BAS 00656740?
You can request a quote for BAS 00656740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00656740?
Yes, KEHONG BIO provides custom synthesis services for BAS 00656740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.