(3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde
TL;DR: (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde (CAS 5221-80-7) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,8aS)-2,2,8-trimethyl-3,3a,6,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
Also Known As: Velleral, Cinnamic acid 4-chlorophenyl ester, KST-1A5284, (3as,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde, 10-Benzyl-3,8-dichloro-1-nitro-10H-phenoxazine
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 5221-80-7 |
|---|---|
| SMILES | CC1=CC(C(=C[C@H]2[C@@H]1CC(C2)(C)C)C=O)C=O |
| InChIKey | HIQBNLOFFXWCPW-YXHCSQSYSA-N |
Product Overview
(3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde (CAS 5221-80-7), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aS,8aS)-2,2,8-trimethyl-3,3a,6,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde.
Chemical Property Profile of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde
Property Insights of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde 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 (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde?
The CAS number of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde is 5221-80-7.
What is the molecular formula of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde?
The molecular formula of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde is C15H20O2.
What is the molecular weight of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde?
The molecular weight of (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde is 232.15 g/mol.
Where can I buy (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde?
You can request a quote for (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.