![2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate structure](/static/products/116/1164467-98-4.png)
2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate
TL;DR: 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate (CAS 1164467-98-4) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 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)methyl]phenyl] N,N-dimethylcarbamate
Also Known As: 2-((dimethylamino)methyl)phenyl dimethylcarbamate fumarate, 2-[(dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate, (E)-but-2-enedioic acid; [2-(dimethylaminomethyl)phenyl] N,N-dimethylcarbamate
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 1.5204 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 579.98535 |
Chemical Identifiers
| CAS Number | 1164467-98-4 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1OC(=O)N(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate (CAS 1164467-98-4), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: (E)-but-2-enedioic acid;[2-[(dimethylamino)methyl]phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate
Property Insights of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate
The XLogP value of 1.5204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate has 2 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)methyl]phenyl dimethylcarbamate 2-butenedioate?
The CAS number of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate is 1164467-98-4.
What is the molecular formula of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate?
The molecular formula of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate is C16H22N2O6.
What is the molecular weight of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate?
The molecular weight of 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate is 338.15 g/mol.
Where can I buy 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate?
You can request a quote for 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methyl]phenyl dimethylcarbamate 2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.