ChemDiv1_027358
TL;DR: ChemDiv1_027358 (CAS 293313-06-1) is a chemical compound with molecular formula C25H22ClN3O and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-2-(4-chlorophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_027358, A1285/0058620, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-chlorophenyl)-10,3a-dihydropyrrolid ino[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-2-(4-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-2-(4-chlorophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
| Molecular Formula | C25H22ClN3O |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 5.35656 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.14514 |
| Heavy Atoms | 30 |
| Complexity | 1100.8083 |
Chemical Identifiers
| CAS Number | 293313-06-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_027358 (CAS 293313-06-1), with molecular formula C25H22ClN3O and molecular weight 415.15 g/mol. IUPAC: (1S,2S,3aR)-2-(4-chlorophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027358
Property Insights of ChemDiv1_027358
The XLogP value of 5.35656 indicates that ChemDiv1_027358 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_027358. Following Lipinski's Rule of Five, ChemDiv1_027358 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_027358?
The CAS number of ChemDiv1_027358 is 293313-06-1.
What is the molecular formula of ChemDiv1_027358?
The molecular formula of ChemDiv1_027358 is C25H22ClN3O.
What is the molecular weight of ChemDiv1_027358?
The molecular weight of ChemDiv1_027358 is 415.15 g/mol.
Where can I buy ChemDiv1_027358?
You can request a quote for ChemDiv1_027358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027358?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.