Cid 6453559
TL;DR: Cid 6453559 (CAS 57991-37-4) is a chemical compound with molecular formula C21H36O6S and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Cid 6453559, 5alpha-Pregnane-3alpha,20alpha,21-triol 3-sulfate, [(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate, Pregnane-3,20,21-triol, 3-(hydrogen sulfate), (3alpha,5alpha,20R)-, (20R)-20,21-Dihydroxy-5alpha-pregnan-3alpha-yl hydrogen sulfate
| Molecular Formula | C21H36O6S |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 3.1865 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.22327 |
| Heavy Atoms | 28 |
| Complexity | 695.0094 |
Chemical Identifiers
| CAS Number | 57991-37-4 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](CO)O)C)OS(=O)(=O)O |
Product Overview
Cid 6453559 (CAS 57991-37-4), with molecular formula C21H36O6S and molecular weight 416.22 g/mol. IUPAC: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Cid 6453559
Property Insights of Cid 6453559
The XLogP value of 3.1865 indicates that Cid 6453559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Cid 6453559. Following Lipinski's Rule of Five, Cid 6453559 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cid 6453559?
The CAS number of Cid 6453559 is 57991-37-4.
What is the molecular formula of Cid 6453559?
The molecular formula of Cid 6453559 is C21H36O6S.
What is the molecular weight of Cid 6453559?
The molecular weight of Cid 6453559 is 416.22 g/mol.
Where can I buy Cid 6453559?
You can request a quote for Cid 6453559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cid 6453559?
Yes, KEHONG BIO provides custom synthesis services for Cid 6453559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.