26,27-Dinorergost-5-EN-3-OL (3-beta)
TL;DR: 26,27-Dinorergost-5-EN-3-OL (3-beta) (CAS 58003-48-8) is a chemical compound with molecular formula C33H48O2 and molecular weight 476.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate
Also Known As: 1,2,4- 26,27-Dinorergost-5-EN-3-OL (3-beta) (CAS 58003-48-8), with molecular formula C33H48O2 and molecular weight 476.37 g/mol. IUPAC: [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate.
Molecular Formula
C33H48O2
Molecular Weight
476.37 g/mol
LogP
10.4
Topological Polar Surface Area
26.3 Ų
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
7
Exact Mass
476.36542
Heavy Atoms
35
Complexity
804.0
Chemical Identifiers
CAS Number
58003-48-8
SMILES
CCCCC(C)(C)C1CCC2C1(CCC3C2C4(CCC(CC4=CC3)OC(=O)C5=CC=CC=C5)C)C
InChIKey
PKNPJOWOAPCDLZ-UHFFFAOYSA-NProduct Overview
Chemical Property Profile of 26,27-Dinorergost-5-EN-3-OL (3-beta)
Property Insights of 26,27-Dinorergost-5-EN-3-OL (3-beta)
The XLogP value of 10.4 indicates that 26,27-Dinorergost-5-EN-3-OL (3-beta) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 26,27-Dinorergost-5-EN-3-OL (3-beta) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 26,27-Dinorergost-5-EN-3-OL (3-beta) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 26,27-Dinorergost-5-EN-3-OL (3-beta)?
The CAS number of 26,27-Dinorergost-5-EN-3-OL (3-beta) is 58003-48-8.
What is the molecular formula of 26,27-Dinorergost-5-EN-3-OL (3-beta)?
The molecular formula of 26,27-Dinorergost-5-EN-3-OL (3-beta) is C33H48O2.
What is the molecular weight of 26,27-Dinorergost-5-EN-3-OL (3-beta)?
The molecular weight of 26,27-Dinorergost-5-EN-3-OL (3-beta) is 476.37 g/mol.
Where can I buy 26,27-Dinorergost-5-EN-3-OL (3-beta)?
You can request a quote for 26,27-Dinorergost-5-EN-3-OL (3-beta) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26,27-Dinorergost-5-EN-3-OL (3-beta)?
Yes, KEHONG BIO provides custom synthesis services for 26,27-Dinorergost-5-EN-3-OL (3-beta) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.