N-甲基牛磺酸
TL;DR: N-甲基牛磺酸 (CAS 107-68-6) is a chemical compound with molecular formula C3H9NO3S and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基牛磺酸
2-(methylamino)ethanesulfonic acid
Also Known As: N-METHYLTAURINE, 2-(Methylamino)ethanesulfonic acid, Methyltaurine, Monomethyltaurine, Taurine, methyl
| Molecular Formula | C3H9NO3S |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.03032 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
| Melting Point | 466 to 242.2 °C |
| Solubility | Soluble (>=10 mg/ml at 70 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 107-68-6 |
|---|---|
| SMILES | CNCCS(=O)(=O)O |
| InChIKey | SUZRRICLUFMAQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基牛磺酸 (CAS 107-68-6), with molecular formula C3H9NO3S and molecular weight 139.03 g/mol. IUPAC: 2-(methylamino)ethanesulfonic acid.
Chemical Property Profile of N-甲基牛磺酸
Property Insights of N-甲基牛磺酸
The XLogP value of -3.6 indicates that N-甲基牛磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-甲基牛磺酸. Following Lipinski's Rule of Five, N-甲基牛磺酸 has 2 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 N-甲基牛磺酸?
The CAS number of N-甲基牛磺酸 is 107-68-6.
What is the molecular formula of N-甲基牛磺酸?
The molecular formula of N-甲基牛磺酸 is C3H9NO3S.
What is the molecular weight of N-甲基牛磺酸?
The molecular weight of N-甲基牛磺酸 is 139.03 g/mol.
Where can I buy N-甲基牛磺酸?
You can request a quote for N-甲基牛磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基牛磺酸?
Yes, KEHONG BIO provides custom synthesis services for N-甲基牛磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.