BAS 00641296
TL;DR: BAS 00641296 (CAS 217787-96-7) is a chemical compound with molecular formula C17H12Br2ClN3S and molecular weight 482.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dibromo-4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione
Also Known As: BAS 00641296, 4-[(2,6-dibromo-4-chloroanilino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione, 4-[(2,6-dibromo-4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione, (4Z)-4-[(2,6-dibromo-4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione, 4-[(2,6-dibromo-4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazole-3-thione
| Molecular Formula | C17H12Br2ClN3S |
|---|---|
| Molecular Weight | 482.88 g/mol |
| LogP | 6.77231 |
| Topological Polar Surface Area | 33.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.8807 |
| Heavy Atoms | 24 |
| Complexity | 954.241 |
Chemical Identifiers
| CAS Number | 217787-96-7 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=NC3=C(C=C(C=C3Br)Cl)Br |
Product Overview
BAS 00641296 (CAS 217787-96-7), with molecular formula C17H12Br2ClN3S and molecular weight 482.88 g/mol. IUPAC: 4-[(2,6-dibromo-4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazole-3-thione.
Chemical Property Profile of BAS 00641296
Property Insights of BAS 00641296
The XLogP value of 6.77231 indicates that BAS 00641296 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 00641296 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00641296 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 00641296?
The CAS number of BAS 00641296 is 217787-96-7.
What is the molecular formula of BAS 00641296?
The molecular formula of BAS 00641296 is C17H12Br2ClN3S.
What is the molecular weight of BAS 00641296?
The molecular weight of BAS 00641296 is 482.88 g/mol.
Where can I buy BAS 00641296?
You can request a quote for BAS 00641296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641296?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.