Desfluoro (9S,10R,14S,17R)-Betamethasone
TL;DR: Desfluoro (9S,10R,14S,17R)-Betamethasone (CAS 2597-76-4) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: Betamethasone Impurity 10, Betamethasone Impurity 120, Desfluoro (9S,10R,14S,17R)-Betamethasone, J1.500.586F, (8S,9S,10R,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 1.8036 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 753.8021 |
Chemical Identifiers
| CAS Number | 2597-76-4 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C |
Product Overview
Desfluoro (9S,10R,14S,17R)-Betamethasone (CAS 2597-76-4), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Desfluoro (9S,10R,14S,17R)-Betamethasone
Property Insights of Desfluoro (9S,10R,14S,17R)-Betamethasone
The XLogP value of 1.8036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desfluoro (9S,10R,14S,17R)-Betamethasone. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Desfluoro (9S,10R,14S,17R)-Betamethasone. Following Lipinski's Rule of Five, Desfluoro (9S,10R,14S,17R)-Betamethasone 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 Desfluoro (9S,10R,14S,17R)-Betamethasone?
The CAS number of Desfluoro (9S,10R,14S,17R)-Betamethasone is 2597-76-4.
What is the molecular formula of Desfluoro (9S,10R,14S,17R)-Betamethasone?
The molecular formula of Desfluoro (9S,10R,14S,17R)-Betamethasone is C22H30O5.
What is the molecular weight of Desfluoro (9S,10R,14S,17R)-Betamethasone?
The molecular weight of Desfluoro (9S,10R,14S,17R)-Betamethasone is 374.21 g/mol.
Where can I buy Desfluoro (9S,10R,14S,17R)-Betamethasone?
You can request a quote for Desfluoro (9S,10R,14S,17R)-Betamethasone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desfluoro (9S,10R,14S,17R)-Betamethasone?
Yes, KEHONG BIO provides custom synthesis services for Desfluoro (9S,10R,14S,17R)-Betamethasone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.