(2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one
TL;DR: (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one (CAS 195392-54-2) is a chemical compound with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-5,7-dibromo-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
Also Known As: J3.009.773D, (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one, (3S)-5,7-DIBROMO-6-METHOXY-1-OXASPIRO[2.5]OCTA-5,7-DIEN-4-ONE, 5,7-dibromo-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one, 1-Oxaspiro[2.5]octa-5,7-dien-4-one, 5,7-dibromo-6-methoxy-, (S)-
| Molecular Formula | C8H6Br2O3 |
|---|---|
| Molecular Weight | 307.87 g/mol |
| LogP | 1.8698 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.86838 |
| Heavy Atoms | 13 |
| Complexity | 339.2983 |
Chemical Identifiers
| CAS Number | 195392-54-2 |
|---|---|
| SMILES | COC1=C(C(=O)[C@@]2(CO2)C=C1Br)Br |
Product Overview
(2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one (CAS 195392-54-2), with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol. IUPAC: (3S)-5,7-dibromo-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one.
Chemical Property Profile of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one
Property Insights of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one
The XLogP value of 1.8698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one. With a topological polar surface area (TPSA) of 38.83 Ų, (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one has 0 hydrogen bond donor(s) and 3 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 (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one?
The CAS number of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one is 195392-54-2.
What is the molecular formula of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one?
The molecular formula of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one is C8H6Br2O3.
What is the molecular weight of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one?
The molecular weight of (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one is 307.87 g/mol.
Where can I buy (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one?
You can request a quote for (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2,2-(Epoxymethano)-4,6-dibromo-5-methoxy-3,5-cyclohexadiene-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.