Dimethyl 2-piperidin-1-ylbut-2-enedioate
TL;DR: Dimethyl 2-piperidin-1-ylbut-2-enedioate (CAS 4606-55-7) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-piperidin-1-ylbut-2-enedioate
Also Known As: dimethyl 2-piperidin-1-ylbut-2-enedioate, dimethyl (E)-2-piperidin-1-ylbut-2-enedioate, 2-Butenedioic acid, 2-(1-piperidinyl)-, dimethyl ester, (E)-
| Molecular Formula | C11H17NO4 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.11575 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 4606-55-7 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)N1CCCCC1 |
| InChIKey | VEMUSDGTYJAZKO-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-piperidin-1-ylbut-2-enedioate (CAS 4606-55-7), with molecular formula C11H17NO4 and molecular weight 227.12 g/mol. IUPAC: dimethyl 2-piperidin-1-ylbut-2-enedioate.
Chemical Property Profile of Dimethyl 2-piperidin-1-ylbut-2-enedioate
Property Insights of Dimethyl 2-piperidin-1-ylbut-2-enedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-piperidin-1-ylbut-2-enedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Dimethyl 2-piperidin-1-ylbut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-piperidin-1-ylbut-2-enedioate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 2-piperidin-1-ylbut-2-enedioate?
The CAS number of Dimethyl 2-piperidin-1-ylbut-2-enedioate is 4606-55-7.
What is the molecular formula of Dimethyl 2-piperidin-1-ylbut-2-enedioate?
The molecular formula of Dimethyl 2-piperidin-1-ylbut-2-enedioate is C11H17NO4.
What is the molecular weight of Dimethyl 2-piperidin-1-ylbut-2-enedioate?
The molecular weight of Dimethyl 2-piperidin-1-ylbut-2-enedioate is 227.12 g/mol.
Where can I buy Dimethyl 2-piperidin-1-ylbut-2-enedioate?
You can request a quote for Dimethyl 2-piperidin-1-ylbut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-piperidin-1-ylbut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-piperidin-1-ylbut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.