Methyl (4-phenylbutan-2-yl)carbamate
TL;DR: Methyl (4-phenylbutan-2-yl)carbamate (CAS 129830-34-8) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(4-phenylbutan-2-yl)carbamate
Also Known As: Methyl N-(4-phenylbutan-2-yl)carbamate, methyl (4-phenylbutan-2-yl)carbamate, N-(methoxycarbonyl)-2-amino-4-phenylbutane, methyl (1-methyl-3-phenylpropyl)carbamate, methoxy-N-(1-methyl-3-phenylpropyl)carboxamide
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)OC |
| InChIKey | PQARRPNUWVTQLX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (4-phenylbutan-2-yl)carbamate
Property Insights of Methyl (4-phenylbutan-2-yl)carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-phenylbutan-2-yl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl (4-phenylbutan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-phenylbutan-2-yl)carbamate 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
What is the CAS number of Methyl (4-phenylbutan-2-yl)carbamate?
The CAS number of Methyl (4-phenylbutan-2-yl)carbamate is 129830-34-8.
What is the molecular formula of Methyl (4-phenylbutan-2-yl)carbamate?
The molecular formula of Methyl (4-phenylbutan-2-yl)carbamate is C12H17NO2.
What is the molecular weight of Methyl (4-phenylbutan-2-yl)carbamate?
The molecular weight of Methyl (4-phenylbutan-2-yl)carbamate is 207.12593 g/mol.
Where can I buy Methyl (4-phenylbutan-2-yl)carbamate?
You can request a quote for Methyl (4-phenylbutan-2-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (4-phenylbutan-2-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Methyl (4-phenylbutan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.