ChemDiv1_027411
TL;DR: ChemDiv1_027411 (CAS 293728-75-3) is a chemical compound with molecular formula C25H16ClN3OS and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_027411, A1172/0054489, (1S,2S,3aR)-7-chloro-2-phenyl-1-(3-thienylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophen-3-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C25H16ClN3OS |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 5.68576 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.07025 |
| Heavy Atoms | 31 |
| Complexity | 1256.3411 |
Chemical Identifiers
| CAS Number | 293728-75-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CSC=C5 |
Product Overview
ChemDiv1_027411 (CAS 293728-75-3), with molecular formula C25H16ClN3OS and molecular weight 441.07 g/mol. IUPAC: (1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027411
Property Insights of ChemDiv1_027411
The XLogP value of 5.68576 indicates that ChemDiv1_027411 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_027411. Following Lipinski's Rule of Five, ChemDiv1_027411 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027411?
The CAS number of ChemDiv1_027411 is 293728-75-3.
What is the molecular formula of ChemDiv1_027411?
The molecular formula of ChemDiv1_027411 is C25H16ClN3OS.
What is the molecular weight of ChemDiv1_027411?
The molecular weight of ChemDiv1_027411 is 441.07 g/mol.
Where can I buy ChemDiv1_027411?
You can request a quote for ChemDiv1_027411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027411?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.