25,28-Di-epi-cyasterone
TL;DR: 25,28-Di-epi-cyasterone (CAS 54082-42-7) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-5-hydroxy-3-methyloxan-2-one
Also Known As: 25,28-Di-epi-cyasterone, (4R)-4-[(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-5-hydroxy-3-methyloxan-2-one, (4R)-4-[(3R)-3-[(1S,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-5-hydroxy-3-methyloxan-2-one
| Molecular Formula | C29H44O9 |
|---|---|
| Molecular Weight | 536.30 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2985 |
| Heavy Atoms | 38 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 54082-42-7 |
|---|---|
| SMILES | CC1[C@H](C(COC1=O)O)CC([C@@](C)([C@H]2CCC3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O |
| InChIKey | BZWMGJMVOQFRLR-AHNWCEEWSA-N |
Product Overview
25,28-Di-epi-cyasterone (CAS 54082-42-7), with molecular formula C29H44O9 and molecular weight 536.30 g/mol. IUPAC: (4R)-4-[(3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-5-hydroxy-3-methyloxan-2-one.
Chemical Property Profile of 25,28-Di-epi-cyasterone
Property Insights of 25,28-Di-epi-cyasterone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 25,28-Di-epi-cyasterone. The TPSA of 165.0 Ų indicates high polarity, suggesting 25,28-Di-epi-cyasterone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 25,28-Di-epi-cyasterone has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 25,28-Di-epi-cyasterone?
The CAS number of 25,28-Di-epi-cyasterone is 54082-42-7.
What is the molecular formula of 25,28-Di-epi-cyasterone?
The molecular formula of 25,28-Di-epi-cyasterone is C29H44O9.
What is the molecular weight of 25,28-Di-epi-cyasterone?
The molecular weight of 25,28-Di-epi-cyasterone is 536.30 g/mol.
Where can I buy 25,28-Di-epi-cyasterone?
You can request a quote for 25,28-Di-epi-cyasterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25,28-Di-epi-cyasterone?
Yes, KEHONG BIO provides custom synthesis services for 25,28-Di-epi-cyasterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.