TL;DR: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1) (CAS 128887-42-3) is a chemical compound with molecular formula C23H34ClNO6 and molecular weight 455.20746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate;hydrochloride
Also Known As: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1), 21-Aminoacetoxy-11-beta,17-alpha-dihydroxypregn-4-ene-3,20-dione hydrochloride, Glycine, (11-beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester, hydrochloride, (8xi,9xi,14xi)-11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1)
| Molecular Formula | C23H34ClNO6 |
| Molecular Weight | 455.20746 g/mol |
| XLogP | 1.713 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.20746 Da |
| Heavy Atoms | 31 |
| Complexity | 808.0 |
| SMILES | C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)COC(=O)CN)O)C)O.Cl |
| InChIKey | VNWIZXYGJMNNTO-IESFLJJMSA-N |
The XLogP value of 1.713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1) is 128887-42-3.
The molecular formula of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1) is C23H34ClNO6.
The molecular weight of 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl glycinate--hydrogen chloride (1/1) is 455.20746 g/mol.
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