6-epi-Albrassitriol
TL;DR: 6-epi-Albrassitriol (CAS 178456-58-1) is a chemical compound with molecular formula C15H26O3 and molecular weight 254.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Also Known As: 6-epi-Albrassitriol, 6-Epialbrassitriol, 6-epi-Albrabetaitriol, ACon1_001220, (1R,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
| Molecular Formula | C15H26O3 |
|---|---|
| Molecular Weight | 254.19 g/mol |
| LogP | 1.8632 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.1882 |
| Heavy Atoms | 18 |
| Complexity | 373.935 |
Chemical Identifiers
| CAS Number | 178456-58-1 |
|---|---|
| SMILES | CC1=C[C@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O |
Product Overview
6-epi-Albrassitriol (CAS 178456-58-1), with molecular formula C15H26O3 and molecular weight 254.19 g/mol. IUPAC: (1R,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol.
Chemical Property Profile of 6-epi-Albrassitriol
Property Insights of 6-epi-Albrassitriol
The XLogP value of 1.8632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-epi-Albrassitriol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-epi-Albrassitriol. Following Lipinski's Rule of Five, 6-epi-Albrassitriol has 3 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 6-epi-Albrassitriol?
The CAS number of 6-epi-Albrassitriol is 178456-58-1.
What is the molecular formula of 6-epi-Albrassitriol?
The molecular formula of 6-epi-Albrassitriol is C15H26O3.
What is the molecular weight of 6-epi-Albrassitriol?
The molecular weight of 6-epi-Albrassitriol is 254.19 g/mol.
Where can I buy 6-epi-Albrassitriol?
You can request a quote for 6-epi-Albrassitriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-epi-Albrassitriol?
Yes, KEHONG BIO provides custom synthesis services for 6-epi-Albrassitriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.