莫仑太尔
TL;DR: 莫仑太尔 (CAS 20574-50-9) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莫仑太尔
1-methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
Also Known As: morantel, Banminth II, (E)-Morantel, Spectrum2_001599, Spectrum3_000976
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 20574-50-9 |
|---|---|
| SMILES | CC1=C(SC=C1)C=CC2=NCCCN2C |
| InChIKey | NVEPPWDVLBMNMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
莫仑太尔 (CAS 20574-50-9), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: 1-methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.
Chemical Property Profile of 莫仑太尔
Property Insights of 莫仑太尔
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 莫仑太尔. With a topological polar surface area (TPSA) of 43.8 Ų, 莫仑太尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莫仑太尔 has 0 hydrogen bond donor(s) and 2 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 莫仑太尔?
The CAS number of 莫仑太尔 is 20574-50-9.
What is the molecular formula of 莫仑太尔?
The molecular formula of 莫仑太尔 is C12H16N2S.
What is the molecular weight of 莫仑太尔?
The molecular weight of 莫仑太尔 is 220.10 g/mol.
Where can I buy 莫仑太尔?
You can request a quote for 莫仑太尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莫仑太尔?
Yes, KEHONG BIO provides custom synthesis services for 莫仑太尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.