Secocuparenal
TL;DR: Secocuparenal (CAS 348111-42-2) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-oxo-3-[(1R)-1,2,2-trimethylcyclopentyl]hept-2-enal
Also Known As: Secocuparenal, 6-Oxo-3-(1,2,2-trimethyl-cyclopentyl)-hept-2-enal, (2E)-6-oxo-3-(1,2,2-trimethylcyclopentyl)hept-2-enal, (E)-6-oxo-3-[(1R)-1,2,2-trimethylcyclopentyl]hept-2-enal, 2-heptenal, 6-oxo-3-[(1R)-1,2,2-trimethylcyclopentyl]-, (2E)-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 348111-42-2 |
|---|---|
| SMILES | CC(=O)CC/C(=C\C=O)/[C@@]1(CCCC1(C)C)C |
| InChIKey | XIXWLCCEDTUEIX-NRUITVPNSA-N |
Product Overview
Secocuparenal (CAS 348111-42-2), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (E)-6-oxo-3-[(1R)-1,2,2-trimethylcyclopentyl]hept-2-enal.
Chemical Property Profile of Secocuparenal
Property Insights of Secocuparenal
The XLogP value of 3.5 indicates that Secocuparenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Secocuparenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secocuparenal 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 Secocuparenal?
The CAS number of Secocuparenal is 348111-42-2.
What is the molecular formula of Secocuparenal?
The molecular formula of Secocuparenal is C15H24O2.
What is the molecular weight of Secocuparenal?
The molecular weight of Secocuparenal is 236.18 g/mol.
Where can I buy Secocuparenal?
You can request a quote for Secocuparenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secocuparenal?
Yes, KEHONG BIO provides custom synthesis services for Secocuparenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.