地塞米松间磺苯甲酸酯
TL;DR: 地塞米松间磺苯甲酸酯 (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 地塞米松间磺苯甲酸酯
Property Insights of 地塞米松间磺苯甲酸酯
The XLogP value of 3.2 indicates that 地塞米松间磺苯甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting 地塞米松间磺苯甲酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 地塞米松间磺苯甲酸酯 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 地塞米松间磺苯甲酸酯?
The CAS number of 地塞米松间磺苯甲酸酯 is 852808-04-9.
What is the molecular formula of 地塞米松间磺苯甲酸酯?
The molecular formula of 地塞米松间磺苯甲酸酯 is C29H33FO9S.
What is the molecular weight of 地塞米松间磺苯甲酸酯?
The molecular weight of 地塞米松间磺苯甲酸酯 is 576.18 g/mol.
Where can I buy 地塞米松间磺苯甲酸酯?
You can request a quote for 地塞米松间磺苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地塞米松间磺苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 地塞米松间磺苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.