BAS 00139531
TL;DR: BAS 00139531 (CAS 303097-86-1) is a chemical compound with molecular formula C23H12BrF5N4 and molecular weight 518.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine
Also Known As: BAS 00139531, 4-(4-bromophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine, 2,3,4,5,6-pentafluorobenzaldehyde [4-(4-bromophenyl)-6-phenyl-2-pyrimidinyl]hydrazone
| Molecular Formula | C23H12BrF5N4 |
|---|---|
| Molecular Weight | 518.02 g/mol |
| LogP | 6.7146 |
| Topological Polar Surface Area | 50.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.01654 |
| Heavy Atoms | 33 |
| Complexity | 1316.5558 |
Chemical Identifiers
| CAS Number | 303097-86-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)N/N=C/C3=C(C(=C(C(=C3F)F)F)F)F)C4=CC=C(C=C4)Br |
Product Overview
BAS 00139531 (CAS 303097-86-1), with molecular formula C23H12BrF5N4 and molecular weight 518.02 g/mol. IUPAC: 4-(4-bromophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine.
Chemical Property Profile of BAS 00139531
Property Insights of BAS 00139531
The XLogP value of 6.7146 indicates that BAS 00139531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.17 Ų, BAS 00139531 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00139531 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 00139531?
The CAS number of BAS 00139531 is 303097-86-1.
What is the molecular formula of BAS 00139531?
The molecular formula of BAS 00139531 is C23H12BrF5N4.
What is the molecular weight of BAS 00139531?
The molecular weight of BAS 00139531 is 518.02 g/mol.
Where can I buy BAS 00139531?
You can request a quote for BAS 00139531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00139531?
Yes, KEHONG BIO provides custom synthesis services for BAS 00139531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.