Alliacol A
TL;DR: Alliacol A (CAS 79232-29-4) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-8,12,12-trimethyl-4-methylidene-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridecan-3-one
Also Known As: Alliacol A
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.5667 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 524.2386 |
Chemical Identifiers
| CAS Number | 79232-29-4 |
|---|---|
| SMILES | CC1CCC2(C(=C)C(=O)OC23C14C(O4)C(C3)(C)C)O |
Product Overview
Alliacol A (CAS 79232-29-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 5-hydroxy-8,12,12-trimethyl-4-methylidene-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridecan-3-one.
Chemical Property Profile of Alliacol A
Property Insights of Alliacol A
The XLogP value of 1.5667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alliacol A. With a topological polar surface area (TPSA) of 59.06 Ų, Alliacol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alliacol A has 1 hydrogen bond donor(s) and 4 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 Alliacol A?
The CAS number of Alliacol A is 79232-29-4.
What is the molecular formula of Alliacol A?
The molecular formula of Alliacol A is C15H20O4.
What is the molecular weight of Alliacol A?
The molecular weight of Alliacol A is 264.14 g/mol.
Where can I buy Alliacol A?
You can request a quote for Alliacol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alliacol A?
Yes, KEHONG BIO provides custom synthesis services for Alliacol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.