ChemDiv1_025114
TL;DR: ChemDiv1_025114 (CAS 293312-86-4) is a chemical compound with molecular formula C29H23N3O3 and molecular weight 461.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_025114, A1282/0058543, (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C29H23N3O3 |
|---|---|
| Molecular Weight | 461.17 g/mol |
| LogP | 4.98806 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.17395 |
| Heavy Atoms | 35 |
| Complexity | 1366.4097 |
Chemical Identifiers
| CAS Number | 293312-86-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_025114 (CAS 293312-86-4), with molecular formula C29H23N3O3 and molecular weight 461.17 g/mol. IUPAC: (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025114
Property Insights of ChemDiv1_025114
The XLogP value of 4.98806 indicates that ChemDiv1_025114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025114. Following Lipinski's Rule of Five, ChemDiv1_025114 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_025114?
The CAS number of ChemDiv1_025114 is 293312-86-4.
What is the molecular formula of ChemDiv1_025114?
The molecular formula of ChemDiv1_025114 is C29H23N3O3.
What is the molecular weight of ChemDiv1_025114?
The molecular weight of ChemDiv1_025114 is 461.17 g/mol.
Where can I buy ChemDiv1_025114?
You can request a quote for ChemDiv1_025114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025114?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.