![Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate structure](/static/products/5339/533919-07-2.webp)
Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
TL;DR: Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate (CAS 533919-07-2) is a chemical compound with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-{[({5-[(3-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate, methyl 2-(2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, methyl 2-{[({(5Z)-5-[(3-phenylpropanoyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.6268 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1056.298 |
Chemical Identifiers
| CAS Number | 533919-07-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate (CAS 533919-07-2), with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol. IUPAC: methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Property Insights of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
The XLogP value of 3.6268 indicates that Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate has 2 hydrogen bond donor(s) and 8 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 Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate?
The CAS number of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate is 533919-07-2.
What is the molecular formula of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate?
The molecular formula of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate is C21H20N4O4S2.
What is the molecular weight of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate?
The molecular weight of Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate is 456.09 g/mol.
Where can I buy Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate?
You can request a quote for Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.