地塞米松间磺基苯甲酸酯
TL;DR: 地塞米松间磺基苯甲酸酯 (CAS 852808-04-9) is a chemical compound with molecular formula C29H33FO9S and molecular weight 576.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地塞米松间磺基苯甲酸酯
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]carbonylbenzenesulfonic acid
Also Known As: dexamethasone metasulfobenzoate, Dexamethasone-21-sulfobenzoate, 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]carbonylbenzenesulfonic acid, Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-
| Molecular Formula | C29H33FO9S |
|---|---|
| Molecular Weight | 576.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.1829 |
| Heavy Atoms | 40 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 852808-04-9 |
|---|---|
| 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 |
| InChIKey | TWQWRHIQRAZHPR-UHFFFAOYSA-N |
Product Overview
地塞米松间磺基苯甲酸酯 (CAS 852808-04-9), with molecular formula C29H33FO9S and molecular weight 576.18 g/mol. IUPAC: 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]carbonylbenzenesulfonic acid.
Chemical Property Profile of 地塞米松间磺基苯甲酸酯
Property Insights of 地塞米松间磺基苯甲酸酯
The XLogP value of 3.2 indicates that dexamethasone metasulfobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting 地塞米松间磺基苯甲酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dexamethasone metasulfobenzoate has 3 hydrogen bond donor(s) and 10 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?
The CAS number of dexamethasone metasulfobenzoate is 852808-04-9.
What is the molecular formula of dexamethasone metasulfobenzoate?
The molecular formula of dexamethasone metasulfobenzoate is C29H33FO9S.
What is the molecular weight of dexamethasone metasulfobenzoate?
The molecular weight of dexamethasone metasulfobenzoate is 576.18 g/mol.
Where can I buy dexamethasone metasulfobenzoate?
You can request a quote for dexamethasone metasulfobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dexamethasone metasulfobenzoate?
Yes, KEHONG BIO provides custom synthesis services for dexamethasone metasulfobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.