Brevicomin
TL;DR: Brevicomin (CAS 60018-04-4) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
Also Known As: exo-Brevicomin, Brevicomin, (?)-Exobrevicomin, (+)-exo-Brevicomin, (?)-exo-Brevicomin
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 60018-04-4 |
|---|---|
| SMILES | CC[C@@H]1[C@H]2CCC[C@](O2)(O1)C |
| InChIKey | YONXEBYXWVCXIV-HLTSFMKQSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brevicomin (CAS 60018-04-4), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane.
Chemical Property Profile of Brevicomin
Property Insights of Brevicomin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brevicomin. With a topological polar surface area (TPSA) of 18.5 Ų, Brevicomin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brevicomin has 0 hydrogen bond donor(s) and 2 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 Brevicomin?
The CAS number of Brevicomin is 60018-04-4.
What is the molecular formula of Brevicomin?
The molecular formula of Brevicomin is C9H16O2.
What is the molecular weight of Brevicomin?
The molecular weight of Brevicomin is 156.12 g/mol.
Where can I buy Brevicomin?
You can request a quote for Brevicomin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevicomin?
Yes, KEHONG BIO provides custom synthesis services for Brevicomin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.