KST-1A0581
TL;DR: KST-1A0581 (CAS 111962-89-1) is a chemical compound with molecular formula C17H16BrNO5 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S,9S,10R)-10-acetyloxy-8-bromo-7-hydroxy-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate
Also Known As: KST-1A0581, (7r,8s,9s,10r)-8-bromo-7-hydroxy-7,8,9,10-tetrahydrobenzo[f]quinoline-9,10-diyl diacetate, Benzo(f)quinoline-7,9,10-triol, 8-bromo-7,8,9,10-tetrahydro-, 9,10-diacetate, (7alpha,8beta,9alpha,10beta)-, 8-Bromo-7-hydroxy-7,8,9,10-tetrahydrobenzo[f]quinoline-9,10-diyl diacetate, [(7R,8S,9S,10R)-10-acetyloxy-8-bromo-7-hydroxy-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate
| Molecular Formula | C17H16BrNO5 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.02118 |
| Heavy Atoms | 24 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 111962-89-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H]([C@@H](C2=C([C@H]1OC(=O)C)C3=C(C=C2)N=CC=C3)O)Br |
| InChIKey | QAUSLQXCZOKLDM-YLFCFFPRSA-N |
Product Overview
KST-1A0581 (CAS 111962-89-1), with molecular formula C17H16BrNO5 and molecular weight 393.02 g/mol. IUPAC: [(7R,8S,9S,10R)-10-acetyloxy-8-bromo-7-hydroxy-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate.
Chemical Property Profile of KST-1A0581
Property Insights of KST-1A0581
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0581. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0581. Following Lipinski's Rule of Five, KST-1A0581 has 1 hydrogen bond donor(s) and 6 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 KST-1A0581?
The CAS number of KST-1A0581 is 111962-89-1.
What is the molecular formula of KST-1A0581?
The molecular formula of KST-1A0581 is C17H16BrNO5.
What is the molecular weight of KST-1A0581?
The molecular weight of KST-1A0581 is 393.02 g/mol.
Where can I buy KST-1A0581?
You can request a quote for KST-1A0581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0581?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.