CTK8D5683
TL;DR: CTK8D5683 (CAS 7400-76-2) is a chemical compound with molecular formula C22H21NO2 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaen-2-ylmethyl)-2,3,4a,8a-tetrahydrochromen-4-one
Also Known As: 3-(9-Julolidinylmethylene)-4-chromanone, 3-(1h,5h-pyrido[3,2,1-ij]quinolin-3-ylmethyl)-2,3,4a,8a-tetrahydro-4h-chromen-4-one, 3-((1,5-Dihydropyrido[3,2,1-ij]quinolin-3-yl)methyl)-4a,8a-dihydro-2H-chromen-4(3H)-one, 3-[(1H,5H-Pyrido[3,2,1-ij]quinolin-3-yl)methyl]-2,3,4a,8a-tetrahydro-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)methylene)-
| Molecular Formula | C22H21NO2 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.15723 |
| Heavy Atoms | 25 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 7400-76-2 |
|---|---|
| SMILES | C1C=C(N2CC=CC3=CC=CC1=C32)CC4COC5C=CC=CC5C4=O |
| InChIKey | QDSIOVIEVKNJIC-UHFFFAOYSA-N |
Product Overview
CTK8D5683 (CAS 7400-76-2), with molecular formula C22H21NO2 and molecular weight 331.16 g/mol. IUPAC: 3-(1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaen-2-ylmethyl)-2,3,4a,8a-tetrahydrochromen-4-one.
Chemical Property Profile of CTK8D5683
Property Insights of CTK8D5683
The XLogP value of 3.7 indicates that CTK8D5683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, CTK8D5683 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8D5683 has 0 hydrogen bond donor(s) and 3 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 CTK8D5683?
The CAS number of CTK8D5683 is 7400-76-2.
What is the molecular formula of CTK8D5683?
The molecular formula of CTK8D5683 is C22H21NO2.
What is the molecular weight of CTK8D5683?
The molecular weight of CTK8D5683 is 331.16 g/mol.
Where can I buy CTK8D5683?
You can request a quote for CTK8D5683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D5683?
Yes, KEHONG BIO provides custom synthesis services for CTK8D5683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.