ChemDiv1_024948
TL;DR: ChemDiv1_024948 (CAS 303012-41-1) is a chemical compound with molecular formula C31H20FN3O and molecular weight 469.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1,1-dicarbonitrile
Also Known As: ChemDiv1_024948, A0861/0040377, (2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile, (2{R},3{S},12A{R})-3-BENZOYL-2-(2-FLUOROPHENYL)-2,3-DIHYDROBENZO[{F}]PYRROLO[1,2-{A}]QUINOLINE-1,1(12A{H})-DICARBONITRILE, (2R,3S,12aR)-2-(2-fluorophenyl)-3-(phenylcarbonyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
| Molecular Formula | C31H20FN3O |
|---|---|
| Molecular Weight | 469.16 g/mol |
| LogP | 6.26316 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.15903 |
| Heavy Atoms | 36 |
| Complexity | 1615.4575 |
Chemical Identifiers
| CAS Number | 303012-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=C(C=C3)C5=CC=CC=C5C=C4)(C#N)C#N)C6=CC=CC=C6F |
Product Overview
ChemDiv1_024948 (CAS 303012-41-1), with molecular formula C31H20FN3O and molecular weight 469.16 g/mol. IUPAC: (2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-3,12a-dihydro-2H-naphtho[2,1-e]indolizine-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_024948
Property Insights of ChemDiv1_024948
The XLogP value of 6.26316 indicates that ChemDiv1_024948 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_024948. Following Lipinski's Rule of Five, ChemDiv1_024948 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_024948?
The CAS number of ChemDiv1_024948 is 303012-41-1.
What is the molecular formula of ChemDiv1_024948?
The molecular formula of ChemDiv1_024948 is C31H20FN3O.
What is the molecular weight of ChemDiv1_024948?
The molecular weight of ChemDiv1_024948 is 469.16 g/mol.
Where can I buy ChemDiv1_024948?
You can request a quote for ChemDiv1_024948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024948?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.