RefChem:1056162
TL;DR: RefChem:1056162 (CAS 72017-31-3) 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 8-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Also Known As: Dimethylaminoethyl 8-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate, (E)-, 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (Z)-, Dimethylaminoethyl 7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (Z)-, Methyl-7 oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.5)decane fumarate, (Z)-, 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 8-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (E)-
| 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 | 592.70685 |
Chemical Identifiers
| CAS Number | 72017-31-3 |
|---|---|
| SMILES | CC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056162 (CAS 72017-31-3), with molecular formula C18H28N2O8 and molecular weight 400.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl 8-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
Chemical Property Profile of RefChem:1056162
Property Insights of RefChem:1056162
The XLogP value of 1.7975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056162. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056162. Following Lipinski's Rule of Five, RefChem:1056162 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:1056162?
The CAS number of RefChem:1056162 is 72017-31-3.
What is the molecular formula of RefChem:1056162?
The molecular formula of RefChem:1056162 is C18H28N2O8.
What is the molecular weight of RefChem:1056162?
The molecular weight of RefChem:1056162 is 400.18 g/mol.
Where can I buy RefChem:1056162?
You can request a quote for RefChem:1056162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.