9-Hydroxyvelleral
TL;DR: 9-Hydroxyvelleral (CAS 96910-73-5) 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.
(3aS,8S,8aR)-3a-hydroxy-2,2,8-trimethyl-1,3,8,8a-tetrahydroazulene-5,6-dicarbaldehyde
Also Known As: 9-Hydroxyvelleral, 5,6-Azulenedicarboxaldehyde, 1,2,3,3a,8,8a-hexahydro-3a-hydroxy-2,2,8-trimethyl-, (3aS-(3a-alpha,8-alpha,8a-alpha))-, (3aS,8S,8aR)-3a-hydroxy-2,2,8-trimethyl-1,2,3,3a,8,8a-hexahydroazulene-5,6-dicarbaldehyde, (3aS,8S,8aR)-3a-hydroxy-2,2,8-trimethyl-1,3,8,8a-tetrahydroa, (3aS,8S,8aR)-3a-hydroxy-2,2,8-trimethyl-1,3,8,8a-tetrahydroazulene-5,6-dicarbaldehyde
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.5 |
| 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 | 445.0 |
Chemical Identifiers
| CAS Number | 96910-73-5 |
|---|---|
| SMILES | C[C@H]1C=C(C(=C[C@]2([C@@H]1CC(C2)(C)C)O)C=O)C=O |
| InChIKey | ABDLNDXNWOFSAT-ZBINZKHDSA-N |
Product Overview
9-Hydroxyvelleral (CAS 96910-73-5), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aS,8S,8aR)-3a-hydroxy-2,2,8-trimethyl-1,3,8,8a-tetrahydroazulene-5,6-dicarbaldehyde.
Chemical Property Profile of 9-Hydroxyvelleral
Property Insights of 9-Hydroxyvelleral
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxyvelleral. With a topological polar surface area (TPSA) of 54.4 Ų, 9-Hydroxyvelleral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxyvelleral 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-Hydroxyvelleral?
The CAS number of 9-Hydroxyvelleral is 96910-73-5.
What is the molecular formula of 9-Hydroxyvelleral?
The molecular formula of 9-Hydroxyvelleral is C15H20O3.
What is the molecular weight of 9-Hydroxyvelleral?
The molecular weight of 9-Hydroxyvelleral is 248.14 g/mol.
Where can I buy 9-Hydroxyvelleral?
You can request a quote for 9-Hydroxyvelleral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxyvelleral?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxyvelleral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.