N-甲基-3-甲酰基苯基氨基甲酸酯
TL;DR: N-甲基-3-甲酰基苯基氨基甲酸酯 (CAS 54335-82-9) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-3-甲酰基苯基氨基甲酸酯
(3-formylphenyl) N-methylcarbamate
Also Known As: 3-tosyloxybenzaldehyde, 3-formylphenyl methylcarbamate, 3-Formylphenyl-N-methylcarbamate, 3-formylphenyl N-methylcarbamate, (3-formylphenyl) N-methylcarbamate
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 54335-82-9 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)C=O |
| InChIKey | OAJCIVFVLYNXOT-UHFFFAOYSA-N |
Product Overview
N-甲基-3-甲酰基苯基氨基甲酸酯 (CAS 54335-82-9), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: (3-formylphenyl) N-methylcarbamate.
Chemical Property Profile of N-甲基-3-甲酰基苯基氨基甲酸酯
Property Insights of N-甲基-3-甲酰基苯基氨基甲酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-3-甲酰基苯基氨基甲酸酯. With a topological polar surface area (TPSA) of 55.4 Ų, N-甲基-3-甲酰基苯基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-3-甲酰基苯基氨基甲酸酯 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 N-甲基-3-甲酰基苯基氨基甲酸酯?
The CAS number of N-甲基-3-甲酰基苯基氨基甲酸酯 is 54335-82-9.
What is the molecular formula of N-甲基-3-甲酰基苯基氨基甲酸酯?
The molecular formula of N-甲基-3-甲酰基苯基氨基甲酸酯 is C9H9NO3.
What is the molecular weight of N-甲基-3-甲酰基苯基氨基甲酸酯?
The molecular weight of N-甲基-3-甲酰基苯基氨基甲酸酯 is 179.06 g/mol.
Where can I buy N-甲基-3-甲酰基苯基氨基甲酸酯?
You can request a quote for N-甲基-3-甲酰基苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-3-甲酰基苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-3-甲酰基苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.