美沙吡林
TL;DR: 美沙吡林 (CAS 91-80-5) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美沙吡林
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Also Known As: methapyrilene, Thenylpyramine, Pyrinistol, Thionylan, Restryl
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
| Melting Point | MP: 135-136 °C. /METHAPYRILENE FUMARATE/ |
| Boiling Point | 343 to 175.0 °C at 3 mmHg |
| Solubility | 601 |
| Vapor Pressure | 7.0X10-4 mm Hg at 25 °C (extrapolated from vapor pressure data at higher temperatures, SRC) |
| Refractive Index | 1.5915 @ 20 °C; MAX ABSORPTION (WATER): 238 NM (LOG E= 4.17), 304 NM (LOG E= 3.60) |
Chemical Identifiers
| CAS Number | 91-80-5 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2 |
| InChIKey | HNJJXZKZRAWDPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
美沙吡林 (CAS 91-80-5), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
Chemical Property Profile of 美沙吡林
Property Insights of 美沙吡林
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 美沙吡林. With a topological polar surface area (TPSA) of 47.6 Ų, 美沙吡林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methapyrilene 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 Methapyrilene?
The CAS number of Methapyrilene is 91-80-5.
What is the molecular formula of Methapyrilene?
The molecular formula of Methapyrilene is C14H19N3S.
What is the molecular weight of Methapyrilene?
The molecular weight of Methapyrilene is 261.13 g/mol.
Where can I buy Methapyrilene?
You can request a quote for Methapyrilene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methapyrilene?
Yes, KEHONG BIO provides custom synthesis services for Methapyrilene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.