ChemDiv2_002167
TL;DR: ChemDiv2_002167 (CAS 293312-85-3) is a chemical compound with molecular formula C26H19N3O2S and molecular weight 437.12 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-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv2_002167, A1282/0058542, (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-[(4-methoxyphenyl)carbonyl]-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C26H19N3O2S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 5.04096 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.1198 |
| Heavy Atoms | 32 |
| Complexity | 1267.8513 |
Chemical Identifiers
| CAS Number | 293312-85-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CS5 |
Product Overview
ChemDiv2_002167 (CAS 293312-85-3), with molecular formula C26H19N3O2S and molecular weight 437.12 g/mol. IUPAC: (1S,2S,3aR)-1-(4-methoxybenzoyl)-2-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv2_002167
Property Insights of ChemDiv2_002167
The XLogP value of 5.04096 indicates that ChemDiv2_002167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002167. Following Lipinski's Rule of Five, ChemDiv2_002167 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_002167?
The CAS number of ChemDiv2_002167 is 293312-85-3.
What is the molecular formula of ChemDiv2_002167?
The molecular formula of ChemDiv2_002167 is C26H19N3O2S.
What is the molecular weight of ChemDiv2_002167?
The molecular weight of ChemDiv2_002167 is 437.12 g/mol.
Where can I buy ChemDiv2_002167?
You can request a quote for ChemDiv2_002167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002167?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.