ChemDiv1_025239
TL;DR: ChemDiv1_025239 (CAS 293728-46-8) is a chemical compound with molecular formula C27H17F2N3O and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_025239, A1169/0054399, (2R,3R,10BS)-1-CYANO-3-(4-FLUOROBENZOYL)-2-(3-FLUOROPHENYL)-2,3-DIHYDROPYRROLO[2,1-A]ISOQUINOLIN-1(10BH)-YL CYANIDE, (2R,3R,10bS)-2-(3-fluorophenyl)-3-[(4-fluorophenyl)carbonyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C27H17F2N3O |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 5.37466 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.13397 |
| Heavy Atoms | 33 |
| Complexity | 1353.1041 |
Chemical Identifiers
| CAS Number | 293728-46-8 |
|---|---|
| SMILES | C1=CC=C2[C@H]3C([C@H]([C@@H](N3C=CC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)F)(C#N)C#N |
Product Overview
ChemDiv1_025239 (CAS 293728-46-8), with molecular formula C27H17F2N3O and molecular weight 437.13 g/mol. IUPAC: (2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025239
Property Insights of ChemDiv1_025239
The XLogP value of 5.37466 indicates that ChemDiv1_025239 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_025239. Following Lipinski's Rule of Five, ChemDiv1_025239 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_025239?
The CAS number of ChemDiv1_025239 is 293728-46-8.
What is the molecular formula of ChemDiv1_025239?
The molecular formula of ChemDiv1_025239 is C27H17F2N3O.
What is the molecular weight of ChemDiv1_025239?
The molecular weight of ChemDiv1_025239 is 437.13 g/mol.
Where can I buy ChemDiv1_025239?
You can request a quote for ChemDiv1_025239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025239?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.