2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate
TL;DR: 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate (CAS 41542-51-2) is a chemical compound with molecular formula C13H19BrN2OS and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate
Also Known As: 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate
| Molecular Formula | C13H19BrN2OS |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.04016 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 41542-51-2 |
|---|---|
| SMILES | CCN(CC)CCSC(=NO)C1=CC=C(C=C1)Br |
| InChIKey | OUPYOOXTKDZJPH-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate (CAS 41542-51-2), with molecular formula C13H19BrN2OS and molecular weight 330.04 g/mol. IUPAC: 2-(diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate
Property Insights of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate
The XLogP value of 4.0 indicates that 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate has 1 hydrogen bond donor(s) and 4 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 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate?
The CAS number of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate is 41542-51-2.
What is the molecular formula of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate?
The molecular formula of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate is C13H19BrN2OS.
What is the molecular weight of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate?
The molecular weight of 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate is 330.04 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate?
You can request a quote for 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.