Methyl Hispanonate
TL;DR: Methyl Hispanonate (CAS 69912-65-8) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dimethyl-11-oxo-13-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16),14-triene-6-carboxylate
Also Known As: METHYL HISPANONATE, Methyl 4,12b-dimethyl-7-oxo-2,3,4,4a,5,6,7,11,12,12b-decahydro-1H-naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylate, RefChem:157893
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 69912-65-8 |
|---|---|
| SMILES | CC12CCCC(C1CCC3=C2CCC4=C(C3=O)OC=C4)(C)C(=O)OC |
| InChIKey | HBYGDSOCXWYJLK-UHFFFAOYSA-N |
Product Overview
Methyl Hispanonate (CAS 69912-65-8), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: methyl 2,6-dimethyl-11-oxo-13-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16),14-triene-6-carboxylate.
Chemical Property Profile of Methyl Hispanonate
Property Insights of Methyl Hispanonate
The XLogP value of 4.3 indicates that Methyl Hispanonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Methyl Hispanonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Hispanonate has 0 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 Methyl Hispanonate?
The CAS number of Methyl Hispanonate is 69912-65-8.
What is the molecular formula of Methyl Hispanonate?
The molecular formula of Methyl Hispanonate is C21H26O4.
What is the molecular weight of Methyl Hispanonate?
The molecular weight of Methyl Hispanonate is 342.18 g/mol.
Where can I buy Methyl Hispanonate?
You can request a quote for Methyl Hispanonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Hispanonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Hispanonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.