6-氯百里酚甲基氨基甲酸酯
TL;DR: 6-氯百里酚甲基氨基甲酸酯 (CAS 17578-41-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯百里酚甲基氨基甲酸酯
(2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate
Also Known As: 6-Chlorothymyl methylcarbamate, N-Methylcarbamate of 6-chlorothymol, CARBAMIC ACID, METHYL-, 6-CHLOROTHYMYL ESTER, (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate, 2-chloro-6-isopropyl-3-methylphenyl methylcarbamate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 17578-41-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OC(=O)NC)Cl |
| InChIKey | SJFVLRSDYVADNO-UHFFFAOYSA-N |
Product Overview
6-氯百里酚甲基氨基甲酸酯 (CAS 17578-41-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: (2-chloro-3-methyl-6-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 6-氯百里酚甲基氨基甲酸酯
Property Insights of 6-氯百里酚甲基氨基甲酸酯
The XLogP value of 3.6 indicates that 6-氯百里酚甲基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 6-氯百里酚甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯百里酚甲基氨基甲酸酯 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 6-氯百里酚甲基氨基甲酸酯?
The CAS number of 6-氯百里酚甲基氨基甲酸酯 is 17578-41-5.
What is the molecular formula of 6-氯百里酚甲基氨基甲酸酯?
The molecular formula of 6-氯百里酚甲基氨基甲酸酯 is C12H16ClNO2.
What is the molecular weight of 6-氯百里酚甲基氨基甲酸酯?
The molecular weight of 6-氯百里酚甲基氨基甲酸酯 is 241.09 g/mol.
Where can I buy 6-氯百里酚甲基氨基甲酸酯?
You can request a quote for 6-氯百里酚甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯百里酚甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 6-氯百里酚甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.