![Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate structure](/static/products/6912/69123-51-9.webp)
Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
TL;DR: Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate (CAS 69123-51-9) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate
Also Known As: Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate, ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate, ethyl 4-(benzo[d]thiazol-2-ylcarbamoylamino)benzoate, ETHYL 4-(BENZOTHIAZOL-2-YLCARBAMOYLAMINO)BENZOATE
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 69123-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | OLIFTJJUOXIUJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate (CAS 69123-51-9), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
Property Insights of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
The XLogP value of 3.5 indicates that Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(1,3-benzothiazol-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-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate?
The CAS number of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate is 69123-51-9.
What is the molecular formula of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate is C17H15N3O3S.
What is the molecular weight of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate is 341.08 g/mol.
Where can I buy Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(1,3-benzothiazol-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-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.