RefChem:1056163
TL;DR: RefChem:1056163 (CAS 7621-11-6) is a chemical compound with molecular formula C19H30N2O8 and molecular weight 414.20 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 2-oxo-1-oxa-3-azaspiro[4.7]dodecane-3-carboxylate
Also Known As: Dimethylaminoethyl 2-oxo-1-oxa-3-azaspiro(4.7)dodecane-3-carboxylate fumarate, 1-Oxa-3-azaspiro(4.7)dodecane-3-carboxylic acid, 2-oxo-, 2-(dimethylamino)ethyl ester, fumarate (1:1), Oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.7)dodecane, fumarate [French], Oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.7)dodecane, fumarate, (E)-but-2-enedioic acid; 2-dimethylaminoethyl 3-oxo-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylate
| Molecular Formula | C19H30N2O8 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 2.3317 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.20023 |
| Heavy Atoms | 29 |
| Complexity | 593.3304 |
Chemical Identifiers
| CAS Number | 7621-11-6 |
|---|---|
| SMILES | CN(C)CCOC(=O)N1CC2(CCCCCCC2)OC1=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056163 (CAS 7621-11-6), with molecular formula C19H30N2O8 and molecular weight 414.20 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.7]dodecane-3-carboxylate.
Chemical Property Profile of RefChem:1056163
Property Insights of RefChem:1056163
The XLogP value of 2.3317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056163. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056163. Following Lipinski's Rule of Five, RefChem:1056163 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:1056163?
The CAS number of RefChem:1056163 is 7621-11-6.
What is the molecular formula of RefChem:1056163?
The molecular formula of RefChem:1056163 is C19H30N2O8.
What is the molecular weight of RefChem:1056163?
The molecular weight of RefChem:1056163 is 414.20 g/mol.
Where can I buy RefChem:1056163?
You can request a quote for RefChem:1056163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056163?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.