2-(Dimethylamino)-2-butenedioic acid dimethyl ester
TL;DR: 2-(Dimethylamino)-2-butenedioic acid dimethyl ester (CAS 61071-41-8) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-(dimethylamino)but-2-enedioate
Also Known As: dimethyl 2-(dimethylamino)but-2-enedioate, 2-(Dimethylamino)-2-butenedioic acid dimethyl ester, J1.936.188H, 1,4-dimethyl 2-(dimethylamino)but-2-enedioate, dimethyl (Z)-2-(dimethylamino)but-2-enedioate
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | -0.2221 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 232.29852 |
Chemical Identifiers
| CAS Number | 61071-41-8 |
|---|---|
| SMILES | CN(C)/C(=C\C(=O)OC)/C(=O)OC |
Product Overview
2-(Dimethylamino)-2-butenedioic acid dimethyl ester (CAS 61071-41-8), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: dimethyl (Z)-2-(dimethylamino)but-2-enedioate.
Chemical Property Profile of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester
Property Insights of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester
The XLogP value of -0.2221 indicates that 2-(Dimethylamino)-2-butenedioic acid dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.84 Ų, 2-(Dimethylamino)-2-butenedioic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-2-butenedioic acid dimethyl ester 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 2-(Dimethylamino)-2-butenedioic acid dimethyl ester?
The CAS number of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester is 61071-41-8.
What is the molecular formula of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester?
The molecular formula of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester is C8H13NO4.
What is the molecular weight of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester?
The molecular weight of 2-(Dimethylamino)-2-butenedioic acid dimethyl ester is 187.08 g/mol.
Where can I buy 2-(Dimethylamino)-2-butenedioic acid dimethyl ester?
You can request a quote for 2-(Dimethylamino)-2-butenedioic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-2-butenedioic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-2-butenedioic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.