Alliacol B
TL;DR: Alliacol B (CAS 79232-33-0) 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.
4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one
Also Known As: Alliacol B, 4-(Hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one, 5-(hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8h-oxireno[1,7a]indeno[3a,4-b]furan-6(2h)-one, 8H-Oxireno(1,7a)indeno(3a,4-b)furan-6(2H)-one, 3,4,9,9a-tetrahydro-5-(hydroxymethyl)-2,9,9-trimethyl-, (2R-(1aR*,2alpha,7aS*,9aalpha))-
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 79232-33-0 |
|---|---|
| SMILES | CC1CCC2=C(C(=O)OC23C14C(O4)C(C3)(C)C)CO |
| InChIKey | IAPZIXBAFXUFEO-UHFFFAOYSA-N |
Product Overview
Alliacol B (CAS 79232-33-0), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one.
Chemical Property Profile of Alliacol B
Property Insights of Alliacol B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alliacol B. With a topological polar surface area (TPSA) of 59.1 Ų, Alliacol B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alliacol B 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 B?
The CAS number of Alliacol B is 79232-33-0.
What is the molecular formula of Alliacol B?
The molecular formula of Alliacol B is C15H20O4.
What is the molecular weight of Alliacol B?
The molecular weight of Alliacol B is 264.14 g/mol.
Where can I buy Alliacol B?
You can request a quote for Alliacol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alliacol B?
Yes, KEHONG BIO provides custom synthesis services for Alliacol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.