ChemDiv1_027210
TL;DR: ChemDiv1_027210 (CAS 303012-47-7) 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.
(1S,2R,3aR)-1-benzoyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_027210, A0801/0037488, (1S,2R,3aR)-1-benzoyl-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2R,3aR)-1-benzoyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2R,3aR)-2-(2-fluorophenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-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 | 1304.4733 |
Chemical Identifiers
| CAS Number | 303012-47-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5F |
Product Overview
ChemDiv1_027210 (CAS 303012-47-7), with molecular formula C27H18FN3O and molecular weight 419.14 g/mol. IUPAC: (1S,2R,3aR)-1-benzoyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027210
Property Insights of ChemDiv1_027210
The XLogP value of 5.10996 indicates that ChemDiv1_027210 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 ChemDiv1_027210. Following Lipinski's Rule of Five, ChemDiv1_027210 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 ChemDiv1_027210?
The CAS number of ChemDiv1_027210 is 303012-47-7.
What is the molecular formula of ChemDiv1_027210?
The molecular formula of ChemDiv1_027210 is C27H18FN3O.
What is the molecular weight of ChemDiv1_027210?
The molecular weight of ChemDiv1_027210 is 419.14 g/mol.
Where can I buy ChemDiv1_027210?
You can request a quote for ChemDiv1_027210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027210?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.