Portensterol
TL;DR: Portensterol (CAS 62005-66-7) is a chemical compound with molecular formula C28H44O2 and molecular weight 412.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Also Known As: Portensterol, (22E)-Ergosta-5,8,22-triene-3beta,11-diol, Ergosta-5,8,22-triene-3,11-diol, (3beta,22E)-, (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol, (1R,3aR,7S,9aS,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-diol
| Molecular Formula | C28H44O2 |
|---|---|
| Molecular Weight | 412.33 g/mol |
| LogP | 6.4457 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.33414 |
| Heavy Atoms | 30 |
| Complexity | 758.60077 |
Chemical Identifiers
| CAS Number | 62005-66-7 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC(C3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C |
Product Overview
Portensterol (CAS 62005-66-7), with molecular formula C28H44O2 and molecular weight 412.33 g/mol. IUPAC: (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol.
Chemical Property Profile of Portensterol
Property Insights of Portensterol
The XLogP value of 6.4457 indicates that Portensterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Portensterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Portensterol has 2 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 Portensterol?
The CAS number of Portensterol is 62005-66-7.
What is the molecular formula of Portensterol?
The molecular formula of Portensterol is C28H44O2.
What is the molecular weight of Portensterol?
The molecular weight of Portensterol is 412.33 g/mol.
Where can I buy Portensterol?
You can request a quote for Portensterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Portensterol?
Yes, KEHONG BIO provides custom synthesis services for Portensterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.