Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate
TL;DR: Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate (CAS 79408-84-7) is a chemical compound with molecular formula C13H19NO5S and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate
Also Known As: methanesulfonic acid,1-phenylethenyl 2-(dimethylamino)acetate, methanesulfonic acid; 1-phenylethenyl 2-(dimethylamino)acetate, Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate, Methanesulfonic acid--1-phenylethenyl N,N-dimethylglycinate (1/1), Methanesulfonic acid--1-phenylethen-1-yl N,N-dimethylglycinate (1/1)
| Molecular Formula | C13H19NO5S |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 1.2661 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0984 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 79408-84-7 |
|---|---|
| SMILES | CN(C)CC(=O)OC(=C)C1=CC=CC=C1.CS(=O)(=O)O |
| InChIKey | ZTEGLWVFHWBKRJ-UHFFFAOYSA-N |
Product Overview
Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate (CAS 79408-84-7), with molecular formula C13H19NO5S and molecular weight 301.10 g/mol. IUPAC: methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate.
Chemical Property Profile of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate
Property Insights of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate
The XLogP value of 1.2661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate. Following Lipinski's Rule of Five, Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate has 1 hydrogen bond donor(s) and 6 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 Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate?
The CAS number of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate is 79408-84-7.
What is the molecular formula of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate?
The molecular formula of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate is C13H19NO5S.
What is the molecular weight of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate?
The molecular weight of Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate is 301.10 g/mol.
Where can I buy Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate?
You can request a quote for Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid;1-phenylethenyl 2-(dimethylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.