3-氟-1-金刚烷基甲基氨基甲酸酯
TL;DR: 3-氟-1-金刚烷基甲基氨基甲酸酯 (CAS 6240-04-6) is a chemical compound with molecular formula C12H18FNO2 and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟-1-金刚烷基甲基氨基甲酸酯
methyl N-(3-fluoro-1-adamantyl)carbamate
Also Known As: Methyl 3-fluoro-1-adamantylcarbamate, methyl N-(3-fluoro-1-adamantyl)carbamate, Methyl(3-fluoroadamantan-1-yl)carbamate, Methyl (3-fluoroadamantan-1-yl)carbamate, NCI60_016009
| Molecular Formula | C12H18FNO2 |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.13216 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 6240-04-6 |
|---|---|
| SMILES | COC(=O)NC12CC3CC(C1)CC(C3)(C2)F |
| InChIKey | FNADVOSALLPLAC-UHFFFAOYSA-N |
Product Overview
3-氟-1-金刚烷基甲基氨基甲酸酯 (CAS 6240-04-6), with molecular formula C12H18FNO2 and molecular weight 227.13 g/mol. IUPAC: methyl N-(3-fluoro-1-adamantyl)carbamate.
Chemical Property Profile of 3-氟-1-金刚烷基甲基氨基甲酸酯
Property Insights of 3-氟-1-金刚烷基甲基氨基甲酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟-1-金刚烷基甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 3-氟-1-金刚烷基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟-1-金刚烷基甲基氨基甲酸酯 has 1 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 3-氟-1-金刚烷基甲基氨基甲酸酯?
The CAS number of 3-氟-1-金刚烷基甲基氨基甲酸酯 is 6240-04-6.
What is the molecular formula of 3-氟-1-金刚烷基甲基氨基甲酸酯?
The molecular formula of 3-氟-1-金刚烷基甲基氨基甲酸酯 is C12H18FNO2.
What is the molecular weight of 3-氟-1-金刚烷基甲基氨基甲酸酯?
The molecular weight of 3-氟-1-金刚烷基甲基氨基甲酸酯 is 227.13 g/mol.
Where can I buy 3-氟-1-金刚烷基甲基氨基甲酸酯?
You can request a quote for 3-氟-1-金刚烷基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟-1-金刚烷基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氟-1-金刚烷基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.