o-Toluic acid, ester with N,N-dimethylglycolamide
TL;DR: o-Toluic acid, ester with N,N-dimethylglycolamide (CAS 6754-99-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-2-oxoethyl] 2-methylbenzoate
Also Known As: o-Toluic acid, ester with N,N-dimethylglycolamide, Glycolamide, N,N-dimethyl-, o-toluate (ester), [2-(dimethylamino)-2-oxoethyl] 2-methylbenzoate, 2-(Dimethylamino)-2-oxoethyl 2-methylbenzoate, TAM
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 6754-99-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCC(=O)N(C)C |
| InChIKey | WQYVAOSJBBNIPX-UHFFFAOYSA-N |
Product Overview
o-Toluic acid, ester with N,N-dimethylglycolamide (CAS 6754-99-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: [2-(dimethylamino)-2-oxoethyl] 2-methylbenzoate.
Chemical Property Profile of o-Toluic acid, ester with N,N-dimethylglycolamide
Property Insights of o-Toluic acid, ester with N,N-dimethylglycolamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluic acid, ester with N,N-dimethylglycolamide. With a topological polar surface area (TPSA) of 46.6 Ų, o-Toluic acid, ester with N,N-dimethylglycolamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, ester with N,N-dimethylglycolamide 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 o-Toluic acid, ester with N,N-dimethylglycolamide?
The CAS number of o-Toluic acid, ester with N,N-dimethylglycolamide is 6754-99-0.
What is the molecular formula of o-Toluic acid, ester with N,N-dimethylglycolamide?
The molecular formula of o-Toluic acid, ester with N,N-dimethylglycolamide is C12H15NO3.
What is the molecular weight of o-Toluic acid, ester with N,N-dimethylglycolamide?
The molecular weight of o-Toluic acid, ester with N,N-dimethylglycolamide is 221.11 g/mol.
Where can I buy o-Toluic acid, ester with N,N-dimethylglycolamide?
You can request a quote for o-Toluic acid, ester with N,N-dimethylglycolamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, ester with N,N-dimethylglycolamide?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, ester with N,N-dimethylglycolamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.