(2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯
TL;DR: (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 (CAS 500689-99-6) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯
(2-methyl-4-oxopyran-3-yl) N-methylcarbamate
Also Known As: (2-methyl-4-oxopyran-3-yl) N-methylcarbamate, 2-methyl-4-oxo-4h-pyran-3-yl methylcarbamate, 4H-Pyran-4-one, 2-methyl-3-[[(methylamino)carbonyl]oxy]- (9CI)
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 500689-99-6 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)NC |
| InChIKey | LWWYEHSMJIQLCJ-UHFFFAOYSA-N |
Product Overview
(2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 (CAS 500689-99-6), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) N-methylcarbamate.
Chemical Property Profile of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯
Property Insights of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯. Following Lipinski's Rule of Five, (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 has 1 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 (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯?
The CAS number of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 is 500689-99-6.
What is the molecular formula of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯?
The molecular formula of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 is C8H9NO4.
What is the molecular weight of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯?
The molecular weight of (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 is 183.05 g/mol.
Where can I buy (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯?
You can request a quote for (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for (2-甲基-4-氧代吡喃-3-基)N-甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.