甲基氨基甲酸百里酚酯
TL;DR: 甲基氨基甲酸百里酚酯 (CAS 3942-71-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基氨基甲酸百里酚酯
(5-methyl-2-propan-2-ylphenyl) N-methylcarbamate
Also Known As: Thymol methylcarbamate, Thymol N-methylcarbamate, Methylcarbamic acid thymyl ester, Methylcarbamic acid, thymol ester, CARBAMIC ACID, METHYL-, THYMYL ESTER
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 3942-71-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)NC |
| InChIKey | OWKQRPRYKIPYIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基氨基甲酸百里酚酯 (CAS 3942-71-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 甲基氨基甲酸百里酚酯
Property Insights of 甲基氨基甲酸百里酚酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基氨基甲酸百里酚酯. With a topological polar surface area (TPSA) of 38.3 Ų, 甲基氨基甲酸百里酚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基氨基甲酸百里酚酯 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 甲基氨基甲酸百里酚酯?
The CAS number of 甲基氨基甲酸百里酚酯 is 3942-71-0.
What is the molecular formula of 甲基氨基甲酸百里酚酯?
The molecular formula of 甲基氨基甲酸百里酚酯 is C12H17NO2.
What is the molecular weight of 甲基氨基甲酸百里酚酯?
The molecular weight of 甲基氨基甲酸百里酚酯 is 207.13 g/mol.
Where can I buy 甲基氨基甲酸百里酚酯?
You can request a quote for 甲基氨基甲酸百里酚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基氨基甲酸百里酚酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基氨基甲酸百里酚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.