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(9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate
TL;DR: (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate (CAS 1119-29-5) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10S)-10-acetyloxy-9,10-dihydrobenzo[f]quinolin-9-yl] acetate
Also Known As: KST-1A0575, (9s,10s)-9,10-dihydrobenzo[f]quinoline-9,10-diyl diacetate, 9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate, trans-9,10-diacetoxy-9,10-dihydrobenzo(f)quinoline, trans-9,10-diacetoxy-9,10-dihydrobenzo[f]quinoline
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 1119-29-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C3=C(C=C2)N=CC=C3 |
| InChIKey | TVXPDUQGROAUEB-DOTOQJQBSA-N |
Product Overview
(9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate (CAS 1119-29-5), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: [(9S,10S)-10-acetyloxy-9,10-dihydrobenzo[f]quinolin-9-yl] acetate.
Chemical Property Profile of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate
Property Insights of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate. Following Lipinski's Rule of Five, (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate has 0 hydrogen bond donor(s) and 5 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 (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate?
The CAS number of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate is 1119-29-5.
What is the molecular formula of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate?
The molecular formula of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate is C17H15NO4.
What is the molecular weight of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate?
The molecular weight of (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate is 297.10 g/mol.
Where can I buy (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate?
You can request a quote for (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for (9s,10s)-9,10-Dihydrobenzo[f]quinoline-9,10-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.