TimTec1_005522
TL;DR: TimTec1_005522 (CAS 293312-89-7) is a chemical compound with molecular formula C28H20FN3O2 and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3aR)-2-(2-fluorophenyl)-1-(4-methoxybenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: TimTec1_005522, A1282/0058546, (1S,2R,3aR)-2-(2-fluorophenyl)-1-(4-methoxybenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2R,3aR)-2-(2-fluorophenyl)-1-(4-methoxybenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2R,3aR)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C28H20FN3O2 |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 5.11856 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.15396 |
| Heavy Atoms | 34 |
| Complexity | 1369.7505 |
Chemical Identifiers
| CAS Number | 293312-89-7 |
|---|---|
| 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=CC=C5F |
Product Overview
TimTec1_005522 (CAS 293312-89-7), with molecular formula C28H20FN3O2 and molecular weight 449.15 g/mol. IUPAC: (1S,2R,3aR)-2-(2-fluorophenyl)-1-(4-methoxybenzoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of TimTec1_005522
Property Insights of TimTec1_005522
The XLogP value of 5.11856 indicates that TimTec1_005522 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 TimTec1_005522. Following Lipinski's Rule of Five, TimTec1_005522 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 TimTec1_005522?
The CAS number of TimTec1_005522 is 293312-89-7.
What is the molecular formula of TimTec1_005522?
The molecular formula of TimTec1_005522 is C28H20FN3O2.
What is the molecular weight of TimTec1_005522?
The molecular weight of TimTec1_005522 is 449.15 g/mol.
Where can I buy TimTec1_005522?
You can request a quote for TimTec1_005522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005522?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.