Betamethasone valeroacetate
TL;DR: Betamethasone valeroacetate (CAS 5919-89-1) is a chemical compound with molecular formula C29H39FO7 and molecular weight 518.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Also Known As: Betamethasone valeroacetate, KST-1A6471, BETAMETHASONE VALEROACETATE [WHO-DD], BETAMETHASONE 17-VALERATE 21-ACETATE, (11
| Molecular Formula | C29H39FO7 |
|---|---|
| Molecular Weight | 518.27 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.268 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 5919-89-1 |
|---|---|
| SMILES | CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)C |
| InChIKey | QSZKFXMOBKKROF-YCUXZELOSA-N |
Product Overview
Betamethasone valeroacetate (CAS 5919-89-1), with molecular formula C29H39FO7 and molecular weight 518.27 g/mol. IUPAC: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate.
Chemical Property Profile of Betamethasone valeroacetate
Property Insights of Betamethasone valeroacetate
The XLogP value of 4.2 indicates that Betamethasone valeroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betamethasone valeroacetate. Following Lipinski's Rule of Five, Betamethasone valeroacetate has 1 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 Betamethasone valeroacetate?
The CAS number of Betamethasone valeroacetate is 5919-89-1.
What is the molecular formula of Betamethasone valeroacetate?
The molecular formula of Betamethasone valeroacetate is C29H39FO7.
What is the molecular weight of Betamethasone valeroacetate?
The molecular weight of Betamethasone valeroacetate is 518.27 g/mol.
Where can I buy Betamethasone valeroacetate?
You can request a quote for Betamethasone valeroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betamethasone valeroacetate?
Yes, KEHONG BIO provides custom synthesis services for Betamethasone valeroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.