BAS 00663590
TL;DR: BAS 00663590 (CAS 331948-11-9) is a chemical compound with molecular formula C21H14Br2N4O and molecular weight 495.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-3-[(4-bromophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
Also Known As: BAS 00663590, 2-[(4-bromophenyl)amino]-3-{(E)-[(4-bromophenyl)imino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, 2-(4-bromoanilino)-3-[(4-bromophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one, (E)-2-((4-bromophenyl)amino)-3-(((4-bromophenyl)imino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(1E)-2-(4-bromophenyl)-2-azavinyl]-2-[(4-bromophenyl)amino]-5-hydropyridino [1,2-a]pyrimidin-4-one
| Molecular Formula | C21H14Br2N4O |
|---|---|
| Molecular Weight | 495.95 g/mol |
| LogP | 5.7137 |
| Topological Polar Surface Area | 58.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.95343 |
| Heavy Atoms | 28 |
| Complexity | 1216.09 |
Chemical Identifiers
| CAS Number | 331948-11-9 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)C=NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br |
Product Overview
BAS 00663590 (CAS 331948-11-9), with molecular formula C21H14Br2N4O and molecular weight 495.95 g/mol. IUPAC: 2-(4-bromoanilino)-3-[(4-bromophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of BAS 00663590
Property Insights of BAS 00663590
The XLogP value of 5.7137 indicates that BAS 00663590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.76 Ų, BAS 00663590 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00663590 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 00663590?
The CAS number of BAS 00663590 is 331948-11-9.
What is the molecular formula of BAS 00663590?
The molecular formula of BAS 00663590 is C21H14Br2N4O.
What is the molecular weight of BAS 00663590?
The molecular weight of BAS 00663590 is 495.95 g/mol.
Where can I buy BAS 00663590?
You can request a quote for BAS 00663590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00663590?
Yes, KEHONG BIO provides custom synthesis services for BAS 00663590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.