![2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate structure](/static/products/382/382173-25-3.png)
2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate
TL;DR: 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate (CAS 382173-25-3) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: 2-(diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate, (E)-2-(diethylamino)ethyl 4-(3-(3-(furan-2-yl)acryloyl)thioureido)benzoate, 2-(diethylamino)ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate, 2-diethylaminoethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate, 4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid 2-(diethylamino)ethyl ester
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.3046 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 828.1209 |
Chemical Identifiers
| CAS Number | 382173-25-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2 |
Product Overview
2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate (CAS 382173-25-3), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate
Property Insights of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate
The XLogP value of 3.3046 indicates that 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate has 2 hydrogen bond donor(s) and 6 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-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate?
The CAS number of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate is 382173-25-3.
What is the molecular formula of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate?
The molecular formula of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate is C21H25N3O4S.
What is the molecular weight of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate?
The molecular weight of 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate is 415.16 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate?
You can request a quote for 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate 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-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-[({[3-(2-furyl)acryloyl]amino}carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.