3,4-Dehydrobrevicomin
TL;DR: 3,4-Dehydrobrevicomin (CAS 6267-28-3) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
Also Known As: 3,4-Dehydrobrevicomin, 3,4-Dehydro-exo-brevicomin, 7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene, J2.365.691D, exo-7-Ethyl-5-methyl-6,8-dioxabicyclo(3.2.1)oct-3-ene
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 6267-28-3 |
|---|---|
| SMILES | CCC1C2CC=CC(O2)(O1)C |
| InChIKey | OTGRTVQRUOULGI-UHFFFAOYSA-N |
Product Overview
3,4-Dehydrobrevicomin (CAS 6267-28-3), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene.
Chemical Property Profile of 3,4-Dehydrobrevicomin
Property Insights of 3,4-Dehydrobrevicomin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dehydrobrevicomin. With a topological polar surface area (TPSA) of 18.5 Ų, 3,4-Dehydrobrevicomin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dehydrobrevicomin 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 3,4-Dehydrobrevicomin?
The CAS number of 3,4-Dehydrobrevicomin is 6267-28-3.
What is the molecular formula of 3,4-Dehydrobrevicomin?
The molecular formula of 3,4-Dehydrobrevicomin is C9H14O2.
What is the molecular weight of 3,4-Dehydrobrevicomin?
The molecular weight of 3,4-Dehydrobrevicomin is 154.10 g/mol.
Where can I buy 3,4-Dehydrobrevicomin?
You can request a quote for 3,4-Dehydrobrevicomin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dehydrobrevicomin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dehydrobrevicomin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.