甲基氨基甲酸-4-氯-3,5-二甲苯酯
TL;DR: 甲基氨基甲酸-4-氯-3,5-二甲苯酯 (CAS 673-00-7) 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.
甲基氨基甲酸-4-氯-3,5-二甲苯酯
(4-chloro-3,5-dimethylphenyl) N-methylcarbamate
Also Known As: 4-Chloro-3, Methylcarbamic acid 4-chloro-3,5-xylyl ester, 4-chloro-3,5-dimethylphenyl methylcarbamate, CARBAMIC ACID, METHYL-, 4-CHLORO-3,5-XYLYL ESTER, Carbamic acid, methyl-, 4-chloro-3,5-dimethylphenyl ester
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.0 |
| 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 | 198.0 |
Chemical Identifiers
| CAS Number | 673-00-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(=O)NC |
| InChIKey | UVPPWESDRAKSEO-UHFFFAOYSA-N |
Product Overview
甲基氨基甲酸-4-氯-3,5-二甲苯酯 (CAS 673-00-7), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: (4-chloro-3,5-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 甲基氨基甲酸-4-氯-3,5-二甲苯酯
Property Insights of 甲基氨基甲酸-4-氯-3,5-二甲苯酯
The XLogP value of 3.0 indicates that 甲基氨基甲酸-4-氯-3,5-二甲苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 甲基氨基甲酸-4-氯-3,5-二甲苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基氨基甲酸-4-氯-3,5-二甲苯酯 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 甲基氨基甲酸-4-氯-3,5-二甲苯酯?
The CAS number of 甲基氨基甲酸-4-氯-3,5-二甲苯酯 is 673-00-7.
What is the molecular formula of 甲基氨基甲酸-4-氯-3,5-二甲苯酯?
The molecular formula of 甲基氨基甲酸-4-氯-3,5-二甲苯酯 is C10H12ClNO2.
What is the molecular weight of 甲基氨基甲酸-4-氯-3,5-二甲苯酯?
The molecular weight of 甲基氨基甲酸-4-氯-3,5-二甲苯酯 is 213.06 g/mol.
Where can I buy 甲基氨基甲酸-4-氯-3,5-二甲苯酯?
You can request a quote for 甲基氨基甲酸-4-氯-3,5-二甲苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基氨基甲酸-4-氯-3,5-二甲苯酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基氨基甲酸-4-氯-3,5-二甲苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.