Phenol, 3-(dimethylamino)-, methylcarbamate (ester)
TL;DR: Phenol, 3-(dimethylamino)-, methylcarbamate (ester) (CAS 2631-39-2) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)phenyl] N-methylcarbamate
Also Known As: Neostigmine impurity 31, Neostigmine impurity 36, 3-(dimethylamino)phenyl methylcarbamate, [3-(dimethylamino)phenyl] N-methylcarbamate, 3-(Dimethylamino)phenol methylcarbamate (ester)
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 2631-39-2 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)N(C)C |
| InChIKey | JNABVZFXUJTCSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-(dimethylamino)-, methylcarbamate (ester) (CAS 2631-39-2), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: [3-(dimethylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of Phenol, 3-(dimethylamino)-, methylcarbamate (ester)
Property Insights of Phenol, 3-(dimethylamino)-, methylcarbamate (ester)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(dimethylamino)-, methylcarbamate (ester). With a topological polar surface area (TPSA) of 41.6 Ų, Phenol, 3-(dimethylamino)-, methylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(dimethylamino)-, methylcarbamate (ester) has 1 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 Phenol, 3-(dimethylamino)-, methylcarbamate (ester)?
The CAS number of Phenol, 3-(dimethylamino)-, methylcarbamate (ester) is 2631-39-2.
What is the molecular formula of Phenol, 3-(dimethylamino)-, methylcarbamate (ester)?
The molecular formula of Phenol, 3-(dimethylamino)-, methylcarbamate (ester) is C10H14N2O2.
What is the molecular weight of Phenol, 3-(dimethylamino)-, methylcarbamate (ester)?
The molecular weight of Phenol, 3-(dimethylamino)-, methylcarbamate (ester) is 194.11 g/mol.
Where can I buy Phenol, 3-(dimethylamino)-, methylcarbamate (ester)?
You can request a quote for Phenol, 3-(dimethylamino)-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(dimethylamino)-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(dimethylamino)-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.