丁草特
TL;DR: 丁草特 (CAS 2008-41-5) is a chemical compound with molecular formula C11H23NOS and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁草特
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
Also Known As: Butylate, Diisocarb, Anelda, Butilate, Aneldazine
| Molecular Formula | C11H23NOS |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 217.15004 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
| Boiling Point | 137.5-138 °C at 21 mm Hg |
| Density | 0.9402 at 25 °C |
| Solubility | In water, 45 mg/L at 22 °C |
| Flash Point | 115.6 °C (116 °C) - closed cup |
| Vapor Pressure | 0.0013 [mmHg] |
| Refractive Index | 1.4702 at 30 °C |
Chemical Identifiers
| CAS Number | 2008-41-5 |
|---|---|
| SMILES | CCSC(=O)N(CC(C)C)CC(C)C |
| InChIKey | BMTAFVWTTFSTOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁草特 (CAS 2008-41-5), with molecular formula C11H23NOS and molecular weight 217.15 g/mol. IUPAC: S-ethyl N,N-bis(2-methylpropyl)carbamothioate.
Chemical Property Profile of 丁草特
Property Insights of 丁草特
The XLogP value of 4.2 indicates that 丁草特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 丁草特 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁草特 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 丁草特?
The CAS number of 丁草特 is 2008-41-5.
What is the molecular formula of 丁草特?
The molecular formula of 丁草特 is C11H23NOS.
What is the molecular weight of 丁草特?
The molecular weight of 丁草特 is 217.15 g/mol.
Where can I buy 丁草特?
You can request a quote for 丁草特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁草特?
Yes, KEHONG BIO provides custom synthesis services for 丁草特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.