ChemDiv1_027367
TL;DR: ChemDiv1_027367 (CAS 293728-74-2) is a chemical compound with molecular formula C28H20ClN3O and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-7-chloro-1-(2-methylbenzoyl)-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_027367, A1172/0054488, (1S,2S,3aR)-7-chloro-1-(2-methylbenzoyl)-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-7-chloro-1-(2-methylbenzoyl)-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-7-chloro-1-[(2-methylphenyl)carbonyl]-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C28H20ClN3O |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 5.93268 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.1295 |
| Heavy Atoms | 33 |
| Complexity | 1351.8801 |
Chemical Identifiers
| CAS Number | 293728-74-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=C(C=C3)C=C(C=C4)Cl)(C#N)C#N)C5=CC=CC=C5 |
Product Overview
ChemDiv1_027367 (CAS 293728-74-2), with molecular formula C28H20ClN3O and molecular weight 449.13 g/mol. IUPAC: (1S,2S,3aR)-7-chloro-1-(2-methylbenzoyl)-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027367
Property Insights of ChemDiv1_027367
The XLogP value of 5.93268 indicates that ChemDiv1_027367 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_027367. Following Lipinski's Rule of Five, ChemDiv1_027367 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_027367?
The CAS number of ChemDiv1_027367 is 293728-74-2.
What is the molecular formula of ChemDiv1_027367?
The molecular formula of ChemDiv1_027367 is C28H20ClN3O.
What is the molecular weight of ChemDiv1_027367?
The molecular weight of ChemDiv1_027367 is 449.13 g/mol.
Where can I buy ChemDiv1_027367?
You can request a quote for ChemDiv1_027367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027367?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.