ChemDiv1_025498
TL;DR: ChemDiv1_025498 (CAS 293320-01-1) is a chemical compound with molecular formula C32H28F3N3O and molecular weight 527.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_025498, A1680/0071700, (10aS,8R,9R)-8-(adamantanylcarbonyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dihyd ropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-3-((1s,3S)-adamantane-1-carbonyl)-2-(4-(trifluoromethyl)phenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C32H28F3N3O |
|---|---|
| Molecular Weight | 527.22 g/mol |
| LogP | 7.01786 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 527.21844 |
| Heavy Atoms | 39 |
| Complexity | 1411.9182 |
Chemical Identifiers
| CAS Number | 293320-01-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C([C@H]5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=C(C=C7)C(F)(F)F |
Product Overview
ChemDiv1_025498 (CAS 293320-01-1), with molecular formula C32H28F3N3O and molecular weight 527.22 g/mol. IUPAC: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025498
Property Insights of ChemDiv1_025498
The XLogP value of 7.01786 indicates that ChemDiv1_025498 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_025498. Following Lipinski's Rule of Five, ChemDiv1_025498 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_025498?
The CAS number of ChemDiv1_025498 is 293320-01-1.
What is the molecular formula of ChemDiv1_025498?
The molecular formula of ChemDiv1_025498 is C32H28F3N3O.
What is the molecular weight of ChemDiv1_025498?
The molecular weight of ChemDiv1_025498 is 527.22 g/mol.
Where can I buy ChemDiv1_025498?
You can request a quote for ChemDiv1_025498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025498?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.