beta-Atlantone
TL;DR: beta-Atlantone (CAS 38331-79-2) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
Also Known As: beta-Atlantone, Atlantone, beta-, (+)-beta-Atlantone, 1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-, 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 38331-79-2 |
|---|---|
| SMILES | CC1=CC[C@@H](CC1)C(=C)CC(=O)C=C(C)C |
| InChIKey | LRDZCBICVMXPBB-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Atlantone (CAS 38331-79-2), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one.
Chemical Property Profile of beta-Atlantone
Property Insights of beta-Atlantone
The XLogP value of 4.1 indicates that beta-Atlantone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, beta-Atlantone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Atlantone has 0 hydrogen bond donor(s) and 1 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 beta-Atlantone?
The CAS number of beta-Atlantone is 38331-79-2.
What is the molecular formula of beta-Atlantone?
The molecular formula of beta-Atlantone is C15H22O.
What is the molecular weight of beta-Atlantone?
The molecular weight of beta-Atlantone is 218.17 g/mol.
Where can I buy beta-Atlantone?
You can request a quote for beta-Atlantone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Atlantone?
Yes, KEHONG BIO provides custom synthesis services for beta-Atlantone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.