![ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate structure](/static/products/7067/706777-58-4.webp)
ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate
TL;DR: ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate (CAS 706777-58-4) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)benzoate
Also Known As: ethyl 4-(3-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)ureido)benzoate, ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)benzoate, ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate, ethyl 4-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)amino]benzoate, ETHYL 4-{[(4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YLAMINO)CARBONYL]AMINO}BENZOATE
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.8426 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 716.53906 |
Chemical Identifiers
| CAS Number | 706777-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)CCCC3 |
Product Overview
ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate (CAS 706777-58-4), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)benzoate.
Chemical Property Profile of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate
Property Insights of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate
The XLogP value of 3.8426 indicates that ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate has 2 hydrogen bond donor(s) and 5 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 ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate?
The CAS number of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate is 706777-58-4.
What is the molecular formula of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate?
The molecular formula of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate is C17H19N3O3S.
What is the molecular weight of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate?
The molecular weight of ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate is 345.11 g/mol.
Where can I buy ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate?
You can request a quote for ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carbamoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.