RefChem:1056160
TL;DR: RefChem:1056160 (CAS 74195-89-4) is a chemical compound with molecular formula C20H32N2O8 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(diethylamino)ethyl (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Also Known As: Methyl-7 oxa-1 oxo-2 aza-3 (diethylamino ethoxy carbonyl)-3 spiro(4.5)decane fumarate, (Z)-, 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-diethylaminoethyl ester, fumarate, (Z)-, Diethylaminoethyl 7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (Z)-, (E)-but-2-enedioic acid; 2-diethylaminoethyl (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-(diethylamino)ethyl ester, cis-, (E)-2-butenedioate (1:1)
| Molecular Formula | C20H32N2O8 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 2.5777 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.21585 |
| Heavy Atoms | 30 |
| Complexity | 630.7177 |
Chemical Identifiers
| CAS Number | 74195-89-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)N1CC2(CCC[C@@H](C2)C)OC1=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056160 (CAS 74195-89-4), with molecular formula C20H32N2O8 and molecular weight 428.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(diethylamino)ethyl (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
Chemical Property Profile of RefChem:1056160
Property Insights of RefChem:1056160
The XLogP value of 2.5777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056160. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056160. Following Lipinski's Rule of Five, RefChem:1056160 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:1056160?
The CAS number of RefChem:1056160 is 74195-89-4.
What is the molecular formula of RefChem:1056160?
The molecular formula of RefChem:1056160 is C20H32N2O8.
What is the molecular weight of RefChem:1056160?
The molecular weight of RefChem:1056160 is 428.22 g/mol.
Where can I buy RefChem:1056160?
You can request a quote for RefChem:1056160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056160?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.