嘧霉胺
TL;DR: 嘧霉胺 (CAS 53112-28-0) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
嘧霉胺
4,6-dimethyl-N-phenylpyrimidin-2-amine
Also Known As: Pyrimethanil, 4,6-dimethyl-N-phenyl-2-pyrimidinamine, Scala, 4,6-dimethyl-N-phenylpyrimidin-2-amine, Mythos
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| Melting Point | 96.3 °C |
| Density | 1.15 g/cu cm @ 20 °C |
| Solubility | In acetone, 389 g/l @ 20 °C; ethyl acetate, 617 g/l @ 20 °C; methanol, 176 g/l @ 20 °C; methylene chloride, 1000 g/l @ 20 °C; n-hexane, 23.7 g/l @ 20 °C; toluene, 412 g/l @ 20 °C. |
| Vapor Pressure | 0.0000165 [mmHg] |
Chemical Identifiers
| CAS Number | 53112-28-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=CC=CC=C2)C |
| InChIKey | ZLIBICFPKPWGIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
嘧霉胺 (CAS 53112-28-0), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 4,6-dimethyl-N-phenylpyrimidin-2-amine.
Chemical Property Profile of 嘧霉胺
Property Insights of 嘧霉胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 嘧霉胺. With a topological polar surface area (TPSA) of 37.8 Ų, 嘧霉胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 嘧霉胺 has 1 hydrogen bond donor(s) and 3 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 嘧霉胺?
The CAS number of 嘧霉胺 is 53112-28-0.
What is the molecular formula of 嘧霉胺?
The molecular formula of 嘧霉胺 is C12H13N3.
What is the molecular weight of 嘧霉胺?
The molecular weight of 嘧霉胺 is 199.11 g/mol.
Where can I buy 嘧霉胺?
You can request a quote for 嘧霉胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 嘧霉胺?
Yes, KEHONG BIO provides custom synthesis services for 嘧霉胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.