dexamethasone metasulfobenzoate sodium
TL;DR: dexamethasone metasulfobenzoate sodium (CAS 94135-40-7) is a chemical compound with molecular formula C29H32FNaO9S and molecular weight 598.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[2-(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-oxoethoxy]carbonylbenzenesulfonate
Also Known As: dexamethasone metasulfobenzoate sodium, dexamethasone sodium metasulfobenzoate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16beta)-, sodium 3-[2-(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-oxoethoxy]carbonylbenzenesulfonate
| Molecular Formula | C29H32FNaO9S |
|---|---|
| Molecular Weight | 598.16 g/mol |
| LogP | -0.3315 |
| Topological Polar Surface Area | 158.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 598.16486 |
| Heavy Atoms | 41 |
| Complexity | 1473.9169 |
Chemical Identifiers
| CAS Number | 94135-40-7 |
|---|---|
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)[O-])O)C)O)F)C.[Na+] |
Product Overview
dexamethasone metasulfobenzoate sodium (CAS 94135-40-7), with molecular formula C29H32FNaO9S and molecular weight 598.16 g/mol. IUPAC: sodium 3-[2-(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-oxoethoxy]carbonylbenzenesulfonate.
Chemical Property Profile of dexamethasone metasulfobenzoate sodium
Property Insights of dexamethasone metasulfobenzoate sodium
The XLogP value of -0.3315 indicates that dexamethasone metasulfobenzoate sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.1 Ų indicates high polarity, suggesting dexamethasone metasulfobenzoate sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dexamethasone metasulfobenzoate sodium has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dexamethasone metasulfobenzoate sodium?
The CAS number of dexamethasone metasulfobenzoate sodium is 94135-40-7.
What is the molecular formula of dexamethasone metasulfobenzoate sodium?
The molecular formula of dexamethasone metasulfobenzoate sodium is C29H32FNaO9S.
What is the molecular weight of dexamethasone metasulfobenzoate sodium?
The molecular weight of dexamethasone metasulfobenzoate sodium is 598.16 g/mol.
Where can I buy dexamethasone metasulfobenzoate sodium?
You can request a quote for dexamethasone metasulfobenzoate sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dexamethasone metasulfobenzoate sodium?
Yes, KEHONG BIO provides custom synthesis services for dexamethasone metasulfobenzoate sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.