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, 美沙吡林 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 美沙吡林?
The CAS number of 美沙吡林 is 91-80-5.
What is the molecular formula of 美沙吡林?
The molecular formula of 美沙吡林 is C14H19N3S.
What is the molecular weight of 美沙吡林?
The molecular weight of 美沙吡林 is 261.13 g/mol.
Where can I buy 美沙吡林?
You can request a quote for 美沙吡林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美沙吡林?
Yes, KEHONG BIO provides custom synthesis services for 美沙吡林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.