1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯
TL;DR: 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 (CAS 739-62-8) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯
(1-methylpyrrolidin-3-yl) N,N-diphenylcarbamate
Also Known As: AHR 0800, 1-Methyl-3-pyrrolidyl N,N-diphenylcarbamate, 1-Methyl-3-pyrrolidyl N,N-diphenylcarbamate, (+/-)-, Carbamic acid, diphenyl-, 1-methyl-3-pyrrolidinyl ester, Carbamic acid, N,N-diphenyl-, 1-methyl-3-pyrrolidinyl ester
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 739-62-8 |
|---|---|
| SMILES | CN1CCC(C1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | FHJHJYBFXRHWSS-UHFFFAOYSA-N |
Product Overview
1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 (CAS 739-62-8), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: (1-methylpyrrolidin-3-yl) N,N-diphenylcarbamate.
Chemical Property Profile of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯
Property Insights of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯
The XLogP value of 3.5 indicates that 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 has 0 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 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯?
The CAS number of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 is 739-62-8.
What is the molecular formula of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯?
The molecular formula of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 is C18H20N2O2.
What is the molecular weight of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯?
The molecular weight of 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 is 296.15 g/mol.
Where can I buy 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯?
You can request a quote for 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-3-吡咯烷基N,N-二苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.