Methanesulfonic acid 3-dimethylaminopropyl ester
TL;DR: Methanesulfonic acid 3-dimethylaminopropyl ester (CAS 96363-80-3) is a chemical compound with molecular formula C6H15NO3S and molecular weight 181.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl methanesulfonate
Also Known As: 3-(dimethylamino)propyl methanesulfonate, 1-Propanol, 3-(dimethylamino)-, 1-methanesulfonate, methanesulfonic acid 3-dimethylaminopropyl ester, Methanesulfonic acid 3-dimethylamino-propyl ester
| Molecular Formula | C6H15NO3S |
|---|---|
| Molecular Weight | 181.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.07727 |
| Heavy Atoms | 11 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 96363-80-3 |
|---|---|
| SMILES | CN(C)CCCOS(=O)(=O)C |
| InChIKey | DMUAMSFZSOIBAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanesulfonic acid 3-dimethylaminopropyl ester (CAS 96363-80-3), with molecular formula C6H15NO3S and molecular weight 181.08 g/mol. IUPAC: 3-(dimethylamino)propyl methanesulfonate.
Chemical Property Profile of Methanesulfonic acid 3-dimethylaminopropyl ester
Property Insights of Methanesulfonic acid 3-dimethylaminopropyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid 3-dimethylaminopropyl ester. With a topological polar surface area (TPSA) of 55.0 Ų, Methanesulfonic acid 3-dimethylaminopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanesulfonic acid 3-dimethylaminopropyl ester has 0 hydrogen bond donor(s) and 4 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 3-dimethylaminopropyl ester?
The CAS number of Methanesulfonic acid 3-dimethylaminopropyl ester is 96363-80-3.
What is the molecular formula of Methanesulfonic acid 3-dimethylaminopropyl ester?
The molecular formula of Methanesulfonic acid 3-dimethylaminopropyl ester is C6H15NO3S.
What is the molecular weight of Methanesulfonic acid 3-dimethylaminopropyl ester?
The molecular weight of Methanesulfonic acid 3-dimethylaminopropyl ester is 181.08 g/mol.
Where can I buy Methanesulfonic acid 3-dimethylaminopropyl ester?
You can request a quote for Methanesulfonic acid 3-dimethylaminopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid 3-dimethylaminopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid 3-dimethylaminopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.