Mediterraneol A
TL;DR: Mediterraneol A (CAS 97730-98-8) is a chemical compound with molecular formula C27H36O5 and molecular weight 440.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one
Also Known As: Mediterraneol A, (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one, 6-(2,5-Dihydroxy-3-methylphenyl)-1-(2,4-dihydroxy-6,7,9,9-tetramethylbicyclo(4.2.1)nona-2,4-dien-7-yl)-4-methyl-4-hexen-2-one, (4E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethylbicyclo[4.2.1]nona-2,4-dien-7-yl]-4-methylhex-4-en-2-one, (E)-6-(2,5-Dihydroxy-3-methylphenyl)-1-[(1R)-2,4-dihydroxy-6beta,7,9,9-tetramethylbicyclo[4.2.1]nona-2,4-dien-7beta-yl]-4-methyl-4-hexen-2-one
| Molecular Formula | C27H36O5 |
|---|---|
| Molecular Weight | 440.26 g/mol |
| LogP | 6.20042 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2563 |
| Heavy Atoms | 32 |
| Complexity | 1028.7274 |
Chemical Identifiers
| CAS Number | 97730-98-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)C[C@]2(C[C@H]3C(=CC(=C[C@@]2(C3(C)C)C)O)O)C)O |
Product Overview
Mediterraneol A (CAS 97730-98-8), with molecular formula C27H36O5 and molecular weight 440.26 g/mol. IUPAC: (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one.
Chemical Property Profile of Mediterraneol A
Property Insights of Mediterraneol A
The XLogP value of 6.20042 indicates that Mediterraneol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Mediterraneol A. Following Lipinski's Rule of Five, Mediterraneol A has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mediterraneol A?
The CAS number of Mediterraneol A is 97730-98-8.
What is the molecular formula of Mediterraneol A?
The molecular formula of Mediterraneol A is C27H36O5.
What is the molecular weight of Mediterraneol A?
The molecular weight of Mediterraneol A is 440.26 g/mol.
Where can I buy Mediterraneol A?
You can request a quote for Mediterraneol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mediterraneol A?
Yes, KEHONG BIO provides custom synthesis services for Mediterraneol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.