Calysterol
TL;DR: Calysterol (CAS 57331-04-1) is a chemical compound with molecular formula C29H46O and molecular weight 410.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Calysterol, 23,28-cyclostigmasta-5,23(24)-dien-3beta-ol, 23,28-Cyclostigmasta-5,23-dien-3-ol, (24~1~R)-23,24~1~-Cyclostigmasta-5,23-dien-3beta-ol, (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C29H46O |
|---|---|
| Molecular Weight | 410.35 g/mol |
| LogP | 7.5548 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.35486 |
| Heavy Atoms | 30 |
| Complexity | 758.32526 |
Chemical Identifiers
| CAS Number | 57331-04-1 |
|---|---|
| SMILES | C[C@@H]1C(=C1C(C)C)C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C |
Product Overview
Calysterol (CAS 57331-04-1), with molecular formula C29H46O and molecular weight 410.35 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Calysterol
Property Insights of Calysterol
The XLogP value of 7.5548 indicates that Calysterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Calysterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calysterol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calysterol?
The CAS number of Calysterol is 57331-04-1.
What is the molecular formula of Calysterol?
The molecular formula of Calysterol is C29H46O.
What is the molecular weight of Calysterol?
The molecular weight of Calysterol is 410.35 g/mol.
Where can I buy Calysterol?
You can request a quote for Calysterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calysterol?
Yes, KEHONG BIO provides custom synthesis services for Calysterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.