Deoxyfrenolicin
TL;DR: Deoxyfrenolicin (CAS 10023-11-7) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Deoxyfrenolicin, 3-BROMOTHIOPHENE, 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid, 1H-Naphtho[2,3-c]pyran-3-aceticacid,3,4,5,10-tetra, 1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-5,10-dioxo-1-propyl-, (1R,3S)-
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.5001 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 760.7725 |
Chemical Identifiers
| CAS Number | 10023-11-7 |
|---|---|
| SMILES | CCC[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O |
Product Overview
Deoxyfrenolicin (CAS 10023-11-7), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of Deoxyfrenolicin
Property Insights of Deoxyfrenolicin
The XLogP value of 2.5001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxyfrenolicin. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyfrenolicin. Following Lipinski's Rule of Five, Deoxyfrenolicin has 2 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 Deoxyfrenolicin?
The CAS number of Deoxyfrenolicin is 10023-11-7.
What is the molecular formula of Deoxyfrenolicin?
The molecular formula of Deoxyfrenolicin is C18H18O6.
What is the molecular weight of Deoxyfrenolicin?
The molecular weight of Deoxyfrenolicin is 330.11 g/mol.
Where can I buy Deoxyfrenolicin?
You can request a quote for Deoxyfrenolicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyfrenolicin?
Yes, KEHONG BIO provides custom synthesis services for Deoxyfrenolicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.