ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate
TL;DR: ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate (CAS 714939-25-0) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[(4-propan-2-ylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate, ethyl 2-[5-[(4-propan-2-ylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate, ethyl [(5Z)-5-({[4-(propan-2-yl)phenyl]carbonyl}imino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.0194 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 680.13385 |
Chemical Identifiers
| CAS Number | 714939-25-0 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(C)C |
Product Overview
ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate (CAS 714939-25-0), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: ethyl 2-[5-[(4-propan-2-ylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate
Property Insights of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 3.0194 indicates that ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate has 1 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 ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate is 714939-25-0.
What is the molecular formula of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate is C16H19N3O3S.
What is the molecular weight of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate is 333.11 g/mol.
Where can I buy ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-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-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-(4-isopropylbenzamido)-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.