Asparvenone
TL;DR: Asparvenone (CAS 6345-97-7) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-7-ethyl-4,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Asparvenone, (4r)-7-ethyl-4,6,8-trihydroxy-3,4-dihydronaphthalen-1(2h)-one, (4R)-7-ethyl-4,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one, 7-Ethyl-3,4-dihydro-4,6,8-trihydroxy-1(2H)-naphthalenone, 7-Ethyl-4,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6345-97-7 |
|---|---|
| SMILES | CCC1=C(C=C2[C@@H](CCC(=O)C2=C1O)O)O |
| InChIKey | GYXLUSUKKWRTDJ-MRVPVSSYSA-N |
Product Overview
Asparvenone (CAS 6345-97-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (4R)-7-ethyl-4,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of Asparvenone
Property Insights of Asparvenone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asparvenone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Asparvenone. Following Lipinski's Rule of Five, Asparvenone has 3 hydrogen bond donor(s) and 4 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 Asparvenone?
The CAS number of Asparvenone is 6345-97-7.
What is the molecular formula of Asparvenone?
The molecular formula of Asparvenone is C12H14O4.
What is the molecular weight of Asparvenone?
The molecular weight of Asparvenone is 222.09 g/mol.
Where can I buy Asparvenone?
You can request a quote for Asparvenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asparvenone?
Yes, KEHONG BIO provides custom synthesis services for Asparvenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.