4-羟基-3,5-二甲基苯基甲基氨基甲酸酯
TL;DR: 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 (CAS 17595-62-9) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3,5-二甲基苯基甲基氨基甲酸酯
(4-hydroxy-3,5-dimethylphenyl) N-methylcarbamate
Also Known As: 4-Hydroxyzectran, 4-Hydroxy Zectran, 4-Hydroxy-3,5-xylyl methylcarbamate, Methylcarbamic acid 4-hydroxy-3,5-xylyl ester, CARBAMIC ACID, METHYL-, 4-HYDROXY-3,5-XYLYL ESTER
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 17595-62-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)OC(=O)NC |
| InChIKey | PUZFRZMVSBGZOQ-UHFFFAOYSA-N |
Product Overview
4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 (CAS 17595-62-9), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: (4-hydroxy-3,5-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯
Property Insights of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 58.6 Ų, 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 has 2 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 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯?
The CAS number of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 is 17595-62-9.
What is the molecular formula of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯?
The molecular formula of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 is C10H13NO3.
What is the molecular weight of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯?
The molecular weight of 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 is 195.09 g/mol.
Where can I buy 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯?
You can request a quote for 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3,5-二甲基苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.