Chettaphanin I
TL;DR: Chettaphanin I (CAS 28487-86-7) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate
Also Known As: Chettaphanin I, 5-[2-(3-Furyl)-2-oxoethyl]-1,2,3,5,6,7,8,8a-octahydro-8a-hydroxy-1,5,6-trimethyl-3-oxo-1-naphthalenecarboxylic acid methyl ester, methyl 5-[2-(3-furyl)-2-oxo-ethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate, methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carboxylate, methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 28487-86-7 |
|---|---|
| SMILES | CC1CCC2(C(=CC(=O)CC2(C)C(=O)OC)C1(C)CC(=O)C3=COC=C3)O |
| InChIKey | HMVKEMUTFLFBSI-UHFFFAOYSA-N |
Product Overview
Chettaphanin I (CAS 28487-86-7), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate.
Chemical Property Profile of Chettaphanin I
Property Insights of Chettaphanin I
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chettaphanin I. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Chettaphanin I. Following Lipinski's Rule of Five, Chettaphanin I 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 Chettaphanin I?
The CAS number of Chettaphanin I is 28487-86-7.
What is the molecular formula of Chettaphanin I?
The molecular formula of Chettaphanin I is C21H26O6.
What is the molecular weight of Chettaphanin I?
The molecular weight of Chettaphanin I is 374.17 g/mol.
Where can I buy Chettaphanin I?
You can request a quote for Chettaphanin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chettaphanin I?
Yes, KEHONG BIO provides custom synthesis services for Chettaphanin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.