m-(Diethylamino)phenyl acetate
TL;DR: m-(Diethylamino)phenyl acetate (CAS 18997-95-0) 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.
[3-(diethylamino)phenyl] acetate
Also Known As: m-(Diethylamino)phenyl acetate, 3-(diethylamino)phenyl acetate, [3-(diethylamino)phenyl] acetate, [3-(Diethylamino)phenyl]acetate, Phenol,3-(diethylamino)-, 1-acetate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 18997-95-0 |
|---|---|
| SMILES | CCN(CC)C1=CC(=CC=C1)OC(=O)C |
| InChIKey | SUQCWYXUPPYMOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-(Diethylamino)phenyl acetate (CAS 18997-95-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: [3-(diethylamino)phenyl] acetate.
Chemical Property Profile of m-(Diethylamino)phenyl acetate
Property Insights of m-(Diethylamino)phenyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(Diethylamino)phenyl acetate. With a topological polar surface area (TPSA) of 29.5 Ų, m-(Diethylamino)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-(Diethylamino)phenyl acetate 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 m-(Diethylamino)phenyl acetate?
The CAS number of m-(Diethylamino)phenyl acetate is 18997-95-0.
What is the molecular formula of m-(Diethylamino)phenyl acetate?
The molecular formula of m-(Diethylamino)phenyl acetate is C12H17NO2.
What is the molecular weight of m-(Diethylamino)phenyl acetate?
The molecular weight of m-(Diethylamino)phenyl acetate is 207.13 g/mol.
Where can I buy m-(Diethylamino)phenyl acetate?
You can request a quote for m-(Diethylamino)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-(Diethylamino)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for m-(Diethylamino)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.