苄草丹
TL;DR: 苄草丹 (CAS 52888-80-9) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄草丹
S-benzyl N,N-dipropylcarbamothioate
Also Known As: Prosulfocarb, Arkade, Defi, Boxer, Prosulfocarb [ISO]
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
| Vapor Pressure | 0.00000052 [mmHg] |
Chemical Identifiers
| CAS Number | 52888-80-9 |
|---|---|
| SMILES | CCCN(CCC)C(=O)SCC1=CC=CC=C1 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄草丹 (CAS 52888-80-9), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: S-benzyl N,N-dipropylcarbamothioate.
Chemical Property Profile of 苄草丹
Property Insights of 苄草丹
The XLogP value of 3.9 indicates that 苄草丹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 苄草丹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄草丹 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 苄草丹?
The CAS number of 苄草丹 is 52888-80-9.
What is the molecular formula of 苄草丹?
The molecular formula of 苄草丹 is C14H21NOS.
What is the molecular weight of 苄草丹?
The molecular weight of 苄草丹 is 251.13 g/mol.
Where can I buy 苄草丹?
You can request a quote for 苄草丹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄草丹?
Yes, KEHONG BIO provides custom synthesis services for 苄草丹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.