N,N-Diethyl-3-hydroxymethylbenzamide
TL;DR: N,N-Diethyl-3-hydroxymethylbenzamide (CAS 72236-22-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-(hydroxymethyl)benzamide
Also Known As: omega-Hydroxy-DEET, N,N-diethyl-3-(hydroxymethyl)benzamide, Balc, BALC cpd, O-Hydroxy-DEET
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 72236-22-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC(=C1)CO |
| InChIKey | FRZJZRVZZNTMAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-3-hydroxymethylbenzamide (CAS 72236-22-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: N,N-diethyl-3-(hydroxymethyl)benzamide.
Chemical Property Profile of N,N-Diethyl-3-hydroxymethylbenzamide
Property Insights of N,N-Diethyl-3-hydroxymethylbenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-3-hydroxymethylbenzamide. With a topological polar surface area (TPSA) of 40.5 Ų, N,N-Diethyl-3-hydroxymethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-3-hydroxymethylbenzamide has 1 hydrogen bond donor(s) and 2 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 N,N-Diethyl-3-hydroxymethylbenzamide?
The CAS number of N,N-Diethyl-3-hydroxymethylbenzamide is 72236-22-7.
What is the molecular formula of N,N-Diethyl-3-hydroxymethylbenzamide?
The molecular formula of N,N-Diethyl-3-hydroxymethylbenzamide is C12H17NO2.
What is the molecular weight of N,N-Diethyl-3-hydroxymethylbenzamide?
The molecular weight of N,N-Diethyl-3-hydroxymethylbenzamide is 207.13 g/mol.
Where can I buy N,N-Diethyl-3-hydroxymethylbenzamide?
You can request a quote for N,N-Diethyl-3-hydroxymethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-3-hydroxymethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-3-hydroxymethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.