2-氯-3,4-二甲苯基甲基氨基甲酸酯
TL;DR: 2-氯-3,4-二甲苯基甲基氨基甲酸酯 (CAS 3942-62-9) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3,4-二甲苯基甲基氨基甲酸酯
(2-chloro-3,4-dimethylphenyl) N-methylcarbamate
Also Known As: Chloroxylam, Banol, Banol Tuco Sok, CARBANOLATE, 2-Chloro-3,4-xylyl methylcarbamate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 3942-62-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)OC(=O)NC)Cl)C |
| InChIKey | FNAAOMSRAVKQGQ-UHFFFAOYSA-N |
Product Overview
2-氯-3,4-二甲苯基甲基氨基甲酸酯 (CAS 3942-62-9), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: (2-chloro-3,4-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 2-氯-3,4-二甲苯基甲基氨基甲酸酯
Property Insights of 2-氯-3,4-二甲苯基甲基氨基甲酸酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-3,4-二甲苯基甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 2-氯-3,4-二甲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, 2-氯-3,4-二甲苯基甲基氨基甲酸酯 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 2-氯-3,4-二甲苯基甲基氨基甲酸酯?
The CAS number of 2-氯-3,4-二甲苯基甲基氨基甲酸酯 is 3942-62-9.
What is the molecular formula of 2-氯-3,4-二甲苯基甲基氨基甲酸酯?
The molecular formula of 2-氯-3,4-二甲苯基甲基氨基甲酸酯 is C10H12ClNO2.
What is the molecular weight of 2-氯-3,4-二甲苯基甲基氨基甲酸酯?
The molecular weight of 2-氯-3,4-二甲苯基甲基氨基甲酸酯 is 213.06 g/mol.
Where can I buy 2-氯-3,4-二甲苯基甲基氨基甲酸酯?
You can request a quote for 2-氯-3,4-二甲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 2-氯-3,4-二甲苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3,4-二甲苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.