邻甲苯酸与N,N-二乙基乙醇酰胺酯
TL;DR: 邻甲苯酸与N,N-二乙基乙醇酰胺酯 (CAS 6755-00-6) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻甲苯酸与N,N-二乙基乙醇酰胺酯
[2-(diethylamino)-2-oxoethyl] 2-methylbenzoate
Also Known As: o-Toluic acid, ester with N,N-diethylglycolamide, Glycolamide, N,N-diethyl-, o-toluate (ester), [2-(diethylamino)-2-oxoethyl] 2-methylbenzoate, 2-(Diethylamino)-2-oxoethyl 2-methylbenzoate, TAE
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 6755-00-6 |
|---|---|
| SMILES | CCN(CC)C(=O)COC(=O)C1=CC=CC=C1C |
| InChIKey | BPSNFPPAMWTSNU-UHFFFAOYSA-N |
Product Overview
邻甲苯酸与N,N-二乙基乙醇酰胺酯 (CAS 6755-00-6), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: [2-(diethylamino)-2-oxoethyl] 2-methylbenzoate.
Chemical Property Profile of 邻甲苯酸与N,N-二乙基乙醇酰胺酯
Property Insights of 邻甲苯酸与N,N-二乙基乙醇酰胺酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻甲苯酸与N,N-二乙基乙醇酰胺酯. With a topological polar surface area (TPSA) of 46.6 Ų, 邻甲苯酸与N,N-二乙基乙醇酰胺酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻甲苯酸与N,N-二乙基乙醇酰胺酯 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 邻甲苯酸与N,N-二乙基乙醇酰胺酯?
The CAS number of 邻甲苯酸与N,N-二乙基乙醇酰胺酯 is 6755-00-6.
What is the molecular formula of 邻甲苯酸与N,N-二乙基乙醇酰胺酯?
The molecular formula of 邻甲苯酸与N,N-二乙基乙醇酰胺酯 is C14H19NO3.
What is the molecular weight of 邻甲苯酸与N,N-二乙基乙醇酰胺酯?
The molecular weight of 邻甲苯酸与N,N-二乙基乙醇酰胺酯 is 249.14 g/mol.
Where can I buy 邻甲苯酸与N,N-二乙基乙醇酰胺酯?
You can request a quote for 邻甲苯酸与N,N-二乙基乙醇酰胺酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻甲苯酸与N,N-二乙基乙醇酰胺酯?
Yes, KEHONG BIO provides custom synthesis services for 邻甲苯酸与N,N-二乙基乙醇酰胺酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.