倍他米松乙酸酯磷酸酯
TL;DR: 倍他米松乙酸酯磷酸酯 (CAS 52081-45-5) is a chemical compound with molecular formula C46H61F2O14P and molecular weight 906.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
倍他米松乙酸酯磷酸酯
[2-[(8S,9R,10S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(8S,9R,10S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
Also Known As: Celestone-R, Celestone Soluspan, Celestone chronodose, betamethasone acetate phosphate, KST-1A0320
| Molecular Formula | C46H61F2O14P |
|---|---|
| Molecular Weight | 906.38 g/mol |
| LogP | 4.48 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 906.3767 |
| Heavy Atoms | 63 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 52081-45-5 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C |
| InChIKey | LXGQHDUCNDGTDB-PAMNCVQHSA-N |
Product Overview
倍他米松乙酸酯磷酸酯 (CAS 52081-45-5), with molecular formula C46H61F2O14P and molecular weight 906.38 g/mol. IUPAC: [2-[(8S,9R,10S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;[2-[(8S,9R,10S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate.
Chemical Property Profile of 倍他米松乙酸酯磷酸酯
Property Insights of 倍他米松乙酸酯磷酸酯
The XLogP value of 4.48 indicates that 倍他米松乙酸酯磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting 倍他米松乙酸酯磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 倍他米松乙酸酯磷酸酯 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 倍他米松乙酸酯磷酸酯?
The CAS number of 倍他米松乙酸酯磷酸酯 is 52081-45-5.
What is the molecular formula of 倍他米松乙酸酯磷酸酯?
The molecular formula of 倍他米松乙酸酯磷酸酯 is C46H61F2O14P.
What is the molecular weight of 倍他米松乙酸酯磷酸酯?
The molecular weight of 倍他米松乙酸酯磷酸酯 is 906.38 g/mol.
Where can I buy 倍他米松乙酸酯磷酸酯?
You can request a quote for 倍他米松乙酸酯磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 倍他米松乙酸酯磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 倍他米松乙酸酯磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.