5-21-13-00693 (Beilstein Handbook Reference)
TL;DR: 5-21-13-00693 (Beilstein Handbook Reference) (CAS 5471-77-2) is a chemical compound with molecular formula C24H27NO6 and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6-trimethyl-9-(3,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydrocyclopenta[b]quinoline-1,3,8-trione
Also Known As: 5-21-13-00693 (Beilstein Handbook Reference), 1-P-TOLYL-4,5-DIHYDRO-1H-PYRAZOLE, 1H-Cyclopenta(b)quinoline-1,3,8(2H,5H)-trione, 4,6,7,9-tetrahydro- 9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-, 2,6,6-trimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-1h-cyclopenta[b]quinoline-1,3,8(2h,4h)-trione, 1H-Cyclopenta(b)quinoline-1,3,8(2H,5H)-trione, 4,6,7,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-
| Molecular Formula | C24H27NO6 |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.18384 |
| Heavy Atoms | 31 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 5471-77-2 |
|---|---|
| SMILES | CC1C(=O)C2=C(C1=O)NC3=C(C2C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C3)(C)C |
| InChIKey | IOVAWMXPAKJJKL-UHFFFAOYSA-N |
Product Overview
5-21-13-00693 (Beilstein Handbook Reference) (CAS 5471-77-2), with molecular formula C24H27NO6 and molecular weight 425.18 g/mol. IUPAC: 2,6,6-trimethyl-9-(3,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydrocyclopenta[b]quinoline-1,3,8-trione.
Chemical Property Profile of 5-21-13-00693 (Beilstein Handbook Reference)
Property Insights of 5-21-13-00693 (Beilstein Handbook Reference)
The XLogP value of 3.2 indicates that 5-21-13-00693 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-21-13-00693 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-21-13-00693 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 7 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 5-21-13-00693 (Beilstein Handbook Reference)?
The CAS number of 5-21-13-00693 (Beilstein Handbook Reference) is 5471-77-2.
What is the molecular formula of 5-21-13-00693 (Beilstein Handbook Reference)?
The molecular formula of 5-21-13-00693 (Beilstein Handbook Reference) is C24H27NO6.
What is the molecular weight of 5-21-13-00693 (Beilstein Handbook Reference)?
The molecular weight of 5-21-13-00693 (Beilstein Handbook Reference) is 425.18 g/mol.
Where can I buy 5-21-13-00693 (Beilstein Handbook Reference)?
You can request a quote for 5-21-13-00693 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-21-13-00693 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-21-13-00693 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.