Saffan
TL;DR: Saffan (CAS 8067-82-1) is a chemical compound with molecular formula C44H66O8 and molecular weight 722.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Saffan
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Alfathesin, Saffan, Alphadione, Alfadione, Alfatesine
| Molecular Formula | C44H66O8 |
|---|---|
| Molecular Weight | 722.48 g/mol |
| LogP | 7.09 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 722.47577 |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 8067-82-1 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C.CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | YYPNLXNMXQFMHG-GSEHKNNPSA-N |
Product Overview
Saffan (CAS 8067-82-1), with molecular formula C44H66O8 and molecular weight 722.48 g/mol. IUPAC: (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Saffan
Property Insights of Saffan
The XLogP value of 7.09 indicates that Saffan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Saffan. Following Lipinski's Rule of Five, Saffan has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saffan?
The CAS number of Saffan is 8067-82-1.
What is the molecular formula of Saffan?
The molecular formula of Saffan is C44H66O8.
What is the molecular weight of Saffan?
The molecular weight of Saffan is 722.48 g/mol.
Where can I buy Saffan?
You can request a quote for Saffan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saffan?
Yes, KEHONG BIO provides custom synthesis services for Saffan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.