BAS 00108191
TL;DR: BAS 00108191 (CAS 136987-69-4) is a chemical compound with molecular formula C31H22BrN5 and molecular weight 543.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinolin-2-amine
Also Known As: BAS 00108191, F0342-0086, (E)-6-bromo-2-(2-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-4-phenylquinoline, 6-bromo-2-[(E)-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]hydrazin-1-yl]-4-phenylquinoline, 1,3-diphenyl-1H-pyrazole-4-carbaldehyde (6-bromo-4-phenyl-2-quinolinyl)hydrazone
| Molecular Formula | C31H22BrN5 |
|---|---|
| Molecular Weight | 543.11 g/mol |
| LogP | 7.963 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.10583 |
| Heavy Atoms | 37 |
| Complexity | 1694.5581 |
Chemical Identifiers
| CAS Number | 136987-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Br)N/N=C/C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
BAS 00108191 (CAS 136987-69-4), with molecular formula C31H22BrN5 and molecular weight 543.11 g/mol. IUPAC: 6-bromo-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinolin-2-amine.
Chemical Property Profile of BAS 00108191
Property Insights of BAS 00108191
The XLogP value of 7.963 indicates that BAS 00108191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, BAS 00108191 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108191 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108191?
The CAS number of BAS 00108191 is 136987-69-4.
What is the molecular formula of BAS 00108191?
The molecular formula of BAS 00108191 is C31H22BrN5.
What is the molecular weight of BAS 00108191?
The molecular weight of BAS 00108191 is 543.11 g/mol.
Where can I buy BAS 00108191?
You can request a quote for BAS 00108191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108191?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.