Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate
TL;DR: Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate (CAS 66870-59-5) is a chemical compound with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate
Also Known As: ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate, ethyl 2-[(2E)-3-amino-2-benzoylimino-thiazol-4-yl]acetate, ethyl 2-[(2Z)-3-amino-2-benzoylimino-1,3-thiazol-4-yl]acetate, 4-Thiazoleacetic acid, 3-amino-2-(benzoylimino)-2,3-dihydro-, ethyl ester, (2E)-, Ethyl [(2Z)-3-amino-2-(benzoylimino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
| Molecular Formula | C14H15N3O3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0834 |
| Heavy Atoms | 21 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 66870-59-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=NC(=O)C2=CC=CC=C2)N1N |
| InChIKey | DFHJOJVDRJQZIB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate (CAS 66870-59-5), with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol. IUPAC: ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate.
Chemical Property Profile of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate
Property Insights of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate has 1 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 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate?
The CAS number of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate is 66870-59-5.
What is the molecular formula of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate?
The molecular formula of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate is C14H15N3O3S.
What is the molecular weight of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate?
The molecular weight of Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate is 305.08 g/mol.
Where can I buy Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate?
You can request a quote for Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-amino-2-benzoylimino-1,3-thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.