9-Hydroxyisovelleral
TL;DR: 9-Hydroxyisovelleral (CAS 96910-71-3) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,3aR,6aR,6bR)-3a-hydroxy-5,5,6b-trimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-1a,2-dicarbaldehyde
Also Known As: 9-Hydroxyisovelleral, 9beta-Hydroxyisovelleral, Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-, (1aS)-3a,4,5,6,6abeta,6b-Hexahydro-3abeta-hydroxy-5,5,6balpha-trimethylcycloprop[e]indene-1aalpha,2(1H)-dicarbaldehyde, (1aS,3aR,6aR,6bR)-3a-hydroxy-5,5,6b-trimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-1a,2-dicarbaldehyde
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 96910-71-3 |
|---|---|
| SMILES | C[C@]12C[C@]1(C(=C[C@]3([C@@H]2CC(C3)(C)C)O)C=O)C=O |
| InChIKey | XJHRNHWYRIVNAL-NGFQHRJXSA-N |
Product Overview
9-Hydroxyisovelleral (CAS 96910-71-3), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (1aS,3aR,6aR,6bR)-3a-hydroxy-5,5,6b-trimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-1a,2-dicarbaldehyde.
Chemical Property Profile of 9-Hydroxyisovelleral
Property Insights of 9-Hydroxyisovelleral
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxyisovelleral. With a topological polar surface area (TPSA) of 54.4 Ų, 9-Hydroxyisovelleral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxyisovelleral has 1 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 9-Hydroxyisovelleral?
The CAS number of 9-Hydroxyisovelleral is 96910-71-3.
What is the molecular formula of 9-Hydroxyisovelleral?
The molecular formula of 9-Hydroxyisovelleral is C15H20O3.
What is the molecular weight of 9-Hydroxyisovelleral?
The molecular weight of 9-Hydroxyisovelleral is 248.14 g/mol.
Where can I buy 9-Hydroxyisovelleral?
You can request a quote for 9-Hydroxyisovelleral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxyisovelleral?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxyisovelleral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.