KST-1A0580
TL;DR: KST-1A0580 (CAS 103620-37-7) is a chemical compound with molecular formula C17H15Br2NO4 and molecular weight 454.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R,9S,10R)-10-acetyloxy-7,8-dibromo-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate
Also Known As: KST-1A0580, (7r,8r,9s,10r)-7,8-dibromo-7,8,9,10-tetrahydrobenzo[f]quinoline-9,10-diyl diacetate, Benzo(f)quinoline-9,10-diol, 7,8-dibromo-7,8,9,10-tetrahydro-, diacetate (ester), (7alpha,8beta,9alpha,10beta)-, 7,8-Dibromo-7,8,9,10-tetrahydrobenzo[f]quinoline-9,10-diyl diacetate, [(7R,8R,9S,10R)-10-acetyloxy-7,8-dibromo-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate
| Molecular Formula | C17H15Br2NO4 |
|---|---|
| Molecular Weight | 454.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.93677 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 103620-37-7 |
|---|---|
| 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)Br)Br |
| InChIKey | SMTRHTKJUMKGAE-YYIAUSFCSA-N |
Product Overview
KST-1A0580 (CAS 103620-37-7), with molecular formula C17H15Br2NO4 and molecular weight 454.94 g/mol. IUPAC: [(7R,8R,9S,10R)-10-acetyloxy-7,8-dibromo-7,8,9,10-tetrahydrobenzo[f]quinolin-9-yl] acetate.
Chemical Property Profile of KST-1A0580
Property Insights of KST-1A0580
The XLogP value of 3.1 indicates that KST-1A0580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0580. Following Lipinski's Rule of Five, KST-1A0580 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 KST-1A0580?
The CAS number of KST-1A0580 is 103620-37-7.
What is the molecular formula of KST-1A0580?
The molecular formula of KST-1A0580 is C17H15Br2NO4.
What is the molecular weight of KST-1A0580?
The molecular weight of KST-1A0580 is 454.94 g/mol.
Where can I buy KST-1A0580?
You can request a quote for KST-1A0580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0580?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.