KST-1A0633
TL;DR: KST-1A0633 (CAS 104199-09-9) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aS,8aR)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Also Known As: KST-1A0633, [(1r,4as,8ar)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-, (1alpha,4abeta,8abeta)-, 2-[7-methoxy-8a-(methoxymethyl)-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid, N-(2"-Dimethylaminoethyl)-2-methylthio-6-thien-2'-ylpyrimidine-4-amine hydrobromide
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 104199-09-9 |
|---|---|
| SMILES | COC[C@]12[C@H](CC=C[C@H]1CC(=O)O)C(=O)C=C(C2=O)OC |
| InChIKey | LENUGHYIKJSVEZ-FEUHOPSXSA-N |
Product Overview
KST-1A0633 (CAS 104199-09-9), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: 2-[(1R,4aS,8aR)-7-methoxy-8a-(methoxymethyl)-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid.
Chemical Property Profile of KST-1A0633
Property Insights of KST-1A0633
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0633. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0633. Following Lipinski's Rule of Five, KST-1A0633 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-1A0633?
The CAS number of KST-1A0633 is 104199-09-9.
What is the molecular formula of KST-1A0633?
The molecular formula of KST-1A0633 is C15H18O6.
What is the molecular weight of KST-1A0633?
The molecular weight of KST-1A0633 is 294.11 g/mol.
Where can I buy KST-1A0633?
You can request a quote for KST-1A0633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0633?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.