RefChem:1056161
TL;DR: RefChem:1056161 (CAS 24191-76-2) is a chemical compound with molecular formula C18H28N2O8 and molecular weight 400.18 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 (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Also Known As: 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (E)-, Methyl-7 oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.5)decane fumarate, (E)-, Dimethylaminoethyl 7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (E)-, (E)-but-2-enedioic acid; 2-dimethylaminoethyl (9S)-9-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate, 1-Oxa-3-azaspiro[4.5]decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-(dimethylamino)ethyl ester, fumarate (1:1), cis-
| Molecular Formula | C18H28N2O8 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 1.7975 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.18457 |
| Heavy Atoms | 28 |
| Complexity | 602.70685 |
Chemical Identifiers
| CAS Number | 24191-76-2 |
|---|---|
| SMILES | C[C@H]1CCCC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056161 (CAS 24191-76-2), with molecular formula C18H28N2O8 and molecular weight 400.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
Chemical Property Profile of RefChem:1056161
Property Insights of RefChem:1056161
The XLogP value of 1.7975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056161. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056161. Following Lipinski's Rule of Five, RefChem:1056161 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 RefChem:1056161?
The CAS number of RefChem:1056161 is 24191-76-2.
What is the molecular formula of RefChem:1056161?
The molecular formula of RefChem:1056161 is C18H28N2O8.
What is the molecular weight of RefChem:1056161?
The molecular weight of RefChem:1056161 is 400.18 g/mol.
Where can I buy RefChem:1056161?
You can request a quote for RefChem:1056161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.