Propyl N-methyl carbamate
TL;DR: Propyl N-methyl carbamate (CAS 17671-76-0) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-methylcarbamate
Also Known As: Propyl methylcarbamate, Propyl N-methyl carbamate, propylmethylcarbamate, propyl N-methylcarbamate, Methylcarbamic acid propyl ester
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 17671-76-0 |
|---|---|
| SMILES | CCCOC(=O)NC |
| InChIKey | FVDLRCDWHVEWCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl N-methyl carbamate (CAS 17671-76-0), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: propyl N-methylcarbamate.
Chemical Property Profile of Propyl N-methyl carbamate
Property Insights of Propyl N-methyl carbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl N-methyl carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Propyl N-methyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl N-methyl 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
Frequently Asked Questions
What is the CAS number of Propyl N-methyl carbamate?
The CAS number of Propyl N-methyl carbamate is 17671-76-0.
What is the molecular formula of Propyl N-methyl carbamate?
The molecular formula of Propyl N-methyl carbamate is C5H11NO2.
What is the molecular weight of Propyl N-methyl carbamate?
The molecular weight of Propyl N-methyl carbamate is 117.08 g/mol.
Where can I buy Propyl N-methyl carbamate?
You can request a quote for Propyl N-methyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl N-methyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl N-methyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.