3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
TL;DR: 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one (CAS 76312-41-9) is a chemical compound with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(dimethylamino)-5-methyl-6-phenylpyran-2-one
Also Known As: 3-chloro-4-(dimethylamino)-5-methyl-6-phenylpyran-2-one, 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one, 3-chloro-4-dimethylamino-5-methyl-6-phenyl-pyran-2-one
| Molecular Formula | C14H14ClNO2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07132 |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 76312-41-9 |
|---|---|
| SMILES | CC1=C(OC(=O)C(=C1N(C)C)Cl)C2=CC=CC=C2 |
| InChIKey | ZUUVUZHSKQFRAZ-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one (CAS 76312-41-9), with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol. IUPAC: 3-chloro-4-(dimethylamino)-5-methyl-6-phenylpyran-2-one.
Chemical Property Profile of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
Property Insights of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
The XLogP value of 3.0 indicates that 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one has 0 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 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one?
The CAS number of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one is 76312-41-9.
What is the molecular formula of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one?
The molecular formula of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one is C14H14ClNO2.
What is the molecular weight of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one?
The molecular weight of 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one is 263.07 g/mol.
Where can I buy 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one?
You can request a quote for 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.