Procurcumenol
TL;DR: Procurcumenol (CAS 2480-13-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
Also Known As: Procurcumenol, RHBOHEXDGUVIIY-WHOFXGATSA-, KST-1A3112, (3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one, Guaia-7(11),9-dien-8-one, 4-hydroxy-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 2480-13-9 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@]2(C)O |
| InChIKey | RHBOHEXDGUVIIY-WHOFXGATSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Procurcumenol (CAS 2480-13-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one.
Chemical Property Profile of Procurcumenol
Property Insights of Procurcumenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Procurcumenol. With a topological polar surface area (TPSA) of 37.3 Ų, Procurcumenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Procurcumenol has 1 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 Procurcumenol?
The CAS number of Procurcumenol is 2480-13-9.
What is the molecular formula of Procurcumenol?
The molecular formula of Procurcumenol is C15H22O2.
What is the molecular weight of Procurcumenol?
The molecular weight of Procurcumenol is 234.16 g/mol.
Where can I buy Procurcumenol?
You can request a quote for Procurcumenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Procurcumenol?
Yes, KEHONG BIO provides custom synthesis services for Procurcumenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.