ChemDiv1_025334
TL;DR: ChemDiv1_025334 (CAS 293312-95-5) is a chemical compound with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_025334, A1284/0058601, (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-(4-nitrophenyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-2-(4-nitrophenyl)-3-pivaloyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C25H22N4O3 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.73696 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.1692 |
| Heavy Atoms | 32 |
| Complexity | 1197.4738 |
Chemical Identifiers
| CAS Number | 293312-95-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_025334 (CAS 293312-95-5), with molecular formula C25H22N4O3 and molecular weight 426.17 g/mol. IUPAC: (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025334
Property Insights of ChemDiv1_025334
The XLogP value of 4.73696 indicates that ChemDiv1_025334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025334. Following Lipinski's Rule of Five, ChemDiv1_025334 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025334?
The CAS number of ChemDiv1_025334 is 293312-95-5.
What is the molecular formula of ChemDiv1_025334?
The molecular formula of ChemDiv1_025334 is C25H22N4O3.
What is the molecular weight of ChemDiv1_025334?
The molecular weight of ChemDiv1_025334 is 426.17 g/mol.
Where can I buy ChemDiv1_025334?
You can request a quote for ChemDiv1_025334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025334?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.