甲基異丙苯基吡咯
TL;DR: 甲基異丙苯基吡咯 (CAS 61676-87-7) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基異丙苯基吡咯
N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine
Also Known As: Cymiazole, Cymiazol, Tifatol, Besuntol, Xymiazol
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 61676-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C |
| InChIKey | YUAUPYJCVKNAEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基異丙苯基吡咯 (CAS 61676-87-7), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine.
Chemical Property Profile of 甲基異丙苯基吡咯
Property Insights of 甲基異丙苯基吡咯
The XLogP value of 3.0 indicates that 甲基異丙苯基吡咯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 甲基異丙苯基吡咯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基異丙苯基吡咯 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 甲基異丙苯基吡咯?
The CAS number of 甲基異丙苯基吡咯 is 61676-87-7.
What is the molecular formula of 甲基異丙苯基吡咯?
The molecular formula of 甲基異丙苯基吡咯 is C12H14N2S.
What is the molecular weight of 甲基異丙苯基吡咯?
The molecular weight of 甲基異丙苯基吡咯 is 218.09 g/mol.
Where can I buy 甲基異丙苯基吡咯?
You can request a quote for 甲基異丙苯基吡咯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基異丙苯基吡咯?
Yes, KEHONG BIO provides custom synthesis services for 甲基異丙苯基吡咯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.