BAS 00108161
TL;DR: BAS 00108161 (CAS 300802-16-8) is a chemical compound with molecular formula C30H21BrN6 and molecular weight 544.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinazolin-2-amine
Also Known As: BAS 00108161, 6-bromo-2-(2-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-4-phenylquinazoline, 6-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinazolin-2-amine
| Molecular Formula | C30H21BrN6 |
|---|---|
| Molecular Weight | 544.10 g/mol |
| LogP | 7.358 |
| Topological Polar Surface Area | 67.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.10114 |
| Heavy Atoms | 37 |
| Complexity | 1697.0314 |
Chemical Identifiers
| CAS Number | 300802-16-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NN=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
BAS 00108161 (CAS 300802-16-8), with molecular formula C30H21BrN6 and molecular weight 544.10 g/mol. IUPAC: 6-bromo-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinazolin-2-amine.
Chemical Property Profile of BAS 00108161
Property Insights of BAS 00108161
The XLogP value of 7.358 indicates that BAS 00108161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00108161. Following Lipinski's Rule of Five, BAS 00108161 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108161?
The CAS number of BAS 00108161 is 300802-16-8.
What is the molecular formula of BAS 00108161?
The molecular formula of BAS 00108161 is C30H21BrN6.
What is the molecular weight of BAS 00108161?
The molecular weight of BAS 00108161 is 544.10 g/mol.
Where can I buy BAS 00108161?
You can request a quote for BAS 00108161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108161?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.