Albrassidiol
TL;DR: Albrassidiol (CAS 110538-24-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(hydroxymethyl)-6-propyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
Also Known As: Albrassidiol, 2-[7-(hydroxymethyl)-6-propyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol, 2,7-Benzofurandimethanol,2,3-dihydro-a2,a2-dimethyl-6-propyl- (9CI), 2,7-Benzofurandimethanol, 2,3-dihydro-alpha2,alpha2-dimethyl-6-propyl-, 2,7-Benzofurandimethanol,2,3-dihydro-a2,a2-dimethyl-6-propyl-(9CI)
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 110538-24-4 |
|---|---|
| SMILES | CCCC1=C(C2=C(CC(O2)C(C)(C)O)C=C1)CO |
| InChIKey | GRXKNTONLIIASH-UHFFFAOYSA-N |
Product Overview
Albrassidiol (CAS 110538-24-4), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 2-[7-(hydroxymethyl)-6-propyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.
Chemical Property Profile of Albrassidiol
Property Insights of Albrassidiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Albrassidiol. With a topological polar surface area (TPSA) of 49.7 Ų, Albrassidiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Albrassidiol has 2 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 Albrassidiol?
The CAS number of Albrassidiol is 110538-24-4.
What is the molecular formula of Albrassidiol?
The molecular formula of Albrassidiol is C15H22O3.
What is the molecular weight of Albrassidiol?
The molecular weight of Albrassidiol is 250.16 g/mol.
Where can I buy Albrassidiol?
You can request a quote for Albrassidiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Albrassidiol?
Yes, KEHONG BIO provides custom synthesis services for Albrassidiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.