![(2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one structure](/static/products/8050/80508-99-2.webp)
(2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one
TL;DR: (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one (CAS 80508-99-2) is a chemical compound with molecular formula C15H20BrClO and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,6S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-one
Also Known As: Elatone, KST-1A8553, (2s,6s)-2-bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one, 2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one, (4S,6S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-one
| Molecular Formula | C15H20BrClO |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.0386 |
| Heavy Atoms | 18 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 80508-99-2 |
|---|---|
| SMILES | CC1=C(C[C@@]2(CC1)C(=C)CC(=O)[C@H](C2(C)C)Br)Cl |
| InChIKey | DRUSEXDWYQBNTJ-HIFRSBDPSA-N |
Product Overview
(2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one (CAS 80508-99-2), with molecular formula C15H20BrClO and molecular weight 330.04 g/mol. IUPAC: (4S,6S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-one.
Chemical Property Profile of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one
Property Insights of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one
The XLogP value of 4.2 indicates that (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one 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 (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one?
The CAS number of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one is 80508-99-2.
What is the molecular formula of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one?
The molecular formula of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one is C15H20BrClO.
What is the molecular weight of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one?
The molecular weight of (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one is 330.04 g/mol.
Where can I buy (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one?
You can request a quote for (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2s,6s)-2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.