BAS 00609470
TL;DR: BAS 00609470 (CAS 497915-06-7) is a chemical compound with molecular formula C27H18FN3O and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: BAS 00609470, 2-(4-fluorophenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-benzoyl-2-(4-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-benzoyl-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 2-(4-fluorophenyl)-1-(phenylcarbonyl)-10,3a-dihydropyrrolidino[1,2-a]quinoline -3,3-dicarbonitrile
| Molecular Formula | C27H18FN3O |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 5.10996 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1434 |
| Heavy Atoms | 32 |
| Complexity | 1287.2233 |
Chemical Identifiers
| CAS Number | 497915-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=C(C=C5)F |
Product Overview
BAS 00609470 (CAS 497915-06-7), with molecular formula C27H18FN3O and molecular weight 419.14 g/mol. IUPAC: 1-benzoyl-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of BAS 00609470
Property Insights of BAS 00609470
The XLogP value of 5.10996 indicates that BAS 00609470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00609470. Following Lipinski's Rule of Five, BAS 00609470 has 0 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 00609470?
The CAS number of BAS 00609470 is 497915-06-7.
What is the molecular formula of BAS 00609470?
The molecular formula of BAS 00609470 is C27H18FN3O.
What is the molecular weight of BAS 00609470?
The molecular weight of BAS 00609470 is 419.14 g/mol.
Where can I buy BAS 00609470?
You can request a quote for BAS 00609470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609470?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.