C17H28N2O4.C4H4O4.1/2H2O
TL;DR: C17H28N2O4.C4H4O4.1/2H2O (CAS 24191-88-6) is a chemical compound with molecular formula C21H32N2O8 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl (4'aS,8'aR)-2-oxospiro[1,3-oxazolidine-5,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-3-carboxylate
Also Known As: C17H28N2O4.C4H4O4.1/2H2O, C17-H28-N2-O4.C4-H4-O4.1/2H2-O, Spiro(decahydronaphthalene-2,5'-oxazolidine)-3'-carboxylic acid, 2'-oxo-, 2-dimethylaminoethyl ester, fumarate, hemihydrate, (trans,trans), (E)-but-2-enedioic acid; 2-dimethylaminoethyl (4'aS,8'aR)-2-oxospiro[1,3-oxazolidine-5,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-3-carboxylate
| Molecular Formula | C21H32N2O8 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 2.5777 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.21585 |
| Heavy Atoms | 31 |
| Complexity | 691.4933 |
Chemical Identifiers
| CAS Number | 24191-88-6 |
|---|---|
| SMILES | CN(C)CCOC(=O)N1CC2(CC[C@@H]3CCCC[C@@H]3C2)OC1=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
C17H28N2O4.C4H4O4.1/2H2O (CAS 24191-88-6), with molecular formula C21H32N2O8 and molecular weight 440.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl (4'aS,8'aR)-2-oxospiro[1,3-oxazolidine-5,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-3-carboxylate.
Chemical Property Profile of C17H28N2O4.C4H4O4.1/2H2O
Property Insights of C17H28N2O4.C4H4O4.1/2H2O
The XLogP value of 2.5777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H28N2O4.C4H4O4.1/2H2O. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H28N2O4.C4H4O4.1/2H2O. Following Lipinski's Rule of Five, C17H28N2O4.C4H4O4.1/2H2O has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H28N2O4.C4H4O4.1/2H2O?
The CAS number of C17H28N2O4.C4H4O4.1/2H2O is 24191-88-6.
What is the molecular formula of C17H28N2O4.C4H4O4.1/2H2O?
The molecular formula of C17H28N2O4.C4H4O4.1/2H2O is C21H32N2O8.
What is the molecular weight of C17H28N2O4.C4H4O4.1/2H2O?
The molecular weight of C17H28N2O4.C4H4O4.1/2H2O is 440.22 g/mol.
Where can I buy C17H28N2O4.C4H4O4.1/2H2O?
You can request a quote for C17H28N2O4.C4H4O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H28N2O4.C4H4O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H28N2O4.C4H4O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.