Pebulate
TL;DR: Pebulate (CAS 1114-71-2) is a chemical compound with molecular formula C10H21NOS and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl N-butyl-N-ethylcarbamothioate
Also Known As: PEBULATE, Tillam, Pebulat, PEBC, Tillam-6-E
| Molecular Formula | C10H21NOS |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 203.13438 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
| Boiling Point | 142 °C at 20 mm Hg |
| Density | 0.9458 at 30 °C |
| Solubility | Very soluble in acetone, benzene, methanol |
| Flash Point | 51.1 °C (OPEN CUP) |
| Vapor Pressure | 0.08 [mmHg] |
| Refractive Index | 1.4752 at 30 °C |
Chemical Identifiers
| CAS Number | 1114-71-2 |
|---|---|
| SMILES | CCCCN(CC)C(=O)SCCC |
| InChIKey | SGEJQUSYQTVSIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pebulate (CAS 1114-71-2), with molecular formula C10H21NOS and molecular weight 203.13 g/mol. IUPAC: S-propyl N-butyl-N-ethylcarbamothioate.
Chemical Property Profile of Pebulate
Property Insights of Pebulate
The XLogP value of 3.8 indicates that Pebulate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Pebulate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pebulate has 0 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 Pebulate?
The CAS number of Pebulate is 1114-71-2.
What is the molecular formula of Pebulate?
The molecular formula of Pebulate is C10H21NOS.
What is the molecular weight of Pebulate?
The molecular weight of Pebulate is 203.13 g/mol.
Where can I buy Pebulate?
You can request a quote for Pebulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pebulate?
Yes, KEHONG BIO provides custom synthesis services for Pebulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.