N-(S-methyl)mercaptoethylpropranolol
TL;DR: N-(S-methyl)mercaptoethylpropranolol (CAS 75790-55-5) is a chemical compound with molecular formula C16H21NO2S and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfanylethylamino)-3-naphthalen-1-yloxypropan-2-ol
Also Known As: Nsmmep, N-(S-Methyl)mercaptoethylpropranolol, 1-(S-Methyl-S-ethylamine)-3-naphthoxy-2-propanol, 1-((S-(Methyl)mercaptoethyl)amino)-3-(1-naphthalenyloxy)-2-propanol, 1-(2-methylsulfanylethylamino)-3-naphthalen-1-yloxypropan-2-ol
| Molecular Formula | C16H21NO2S |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.1293 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 75790-55-5 |
|---|---|
| SMILES | CSCCNCC(COC1=CC=CC2=CC=CC=C21)O |
| InChIKey | JMOIHCOHJQIYBE-UHFFFAOYSA-N |
Product Overview
N-(S-methyl)mercaptoethylpropranolol (CAS 75790-55-5), with molecular formula C16H21NO2S and molecular weight 291.13 g/mol. IUPAC: 1-(2-methylsulfanylethylamino)-3-naphthalen-1-yloxypropan-2-ol.
Chemical Property Profile of N-(S-methyl)mercaptoethylpropranolol
Property Insights of N-(S-methyl)mercaptoethylpropranolol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(S-methyl)mercaptoethylpropranolol. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(S-methyl)mercaptoethylpropranolol. Following Lipinski's Rule of Five, N-(S-methyl)mercaptoethylpropranolol 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-(S-methyl)mercaptoethylpropranolol?
The CAS number of N-(S-methyl)mercaptoethylpropranolol is 75790-55-5.
What is the molecular formula of N-(S-methyl)mercaptoethylpropranolol?
The molecular formula of N-(S-methyl)mercaptoethylpropranolol is C16H21NO2S.
What is the molecular weight of N-(S-methyl)mercaptoethylpropranolol?
The molecular weight of N-(S-methyl)mercaptoethylpropranolol is 291.13 g/mol.
Where can I buy N-(S-methyl)mercaptoethylpropranolol?
You can request a quote for N-(S-methyl)mercaptoethylpropranolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(S-methyl)mercaptoethylpropranolol?
Yes, KEHONG BIO provides custom synthesis services for N-(S-methyl)mercaptoethylpropranolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.