C9-Ketones
TL;DR: C9-Ketones (CAS 67890-78-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate
Also Known As: C9-Ketones, Ketones, C9-branched, Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 4-methyl-1-(1-methylethyl)-, methyl ester, Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-2-ene-5-carboxylate, methyl 1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 67890-78-2 |
|---|---|
| SMILES | CC(C)C12CCC(CC1C(=O)OC)(C=C2)C |
| InChIKey | WGPDTCIMQPMEHS-UHFFFAOYSA-N |
Product Overview
C9-Ketones (CAS 67890-78-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: methyl 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate.
Chemical Property Profile of C9-Ketones
Property Insights of C9-Ketones
The XLogP value of 3.9 indicates that C9-Ketones is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, C9-Ketones exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C9-Ketones 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 C9-Ketones?
The CAS number of C9-Ketones is 67890-78-2.
What is the molecular formula of C9-Ketones?
The molecular formula of C9-Ketones is C14H22O2.
What is the molecular weight of C9-Ketones?
The molecular weight of C9-Ketones is 222.16 g/mol.
Where can I buy C9-Ketones?
You can request a quote for C9-Ketones directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9-Ketones?
Yes, KEHONG BIO provides custom synthesis services for C9-Ketones and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.