methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate
TL;DR: methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate (CAS 1002041-83-9) is a chemical compound with molecular formula C16H14N4O3S3 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-(thiophen-2-ylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
Also Known As: methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate, F2680-0897, methyl 4-[[5-(thiophen-2-ylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate, methyl 4-{[(5-{[(thiophen-2-yl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C16H14N4O3S3 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 4.3225 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0228 |
| Heavy Atoms | 26 |
| Complexity | 878.54926 |
Chemical Identifiers
| CAS Number | 1002041-83-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CS3 |
Product Overview
methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate (CAS 1002041-83-9), with molecular formula C16H14N4O3S3 and molecular weight 406.02 g/mol. IUPAC: methyl 4-[[5-(thiophen-2-ylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate
Property Insights of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate
The XLogP value of 4.3225 indicates that methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)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 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate?
The CAS number of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate is 1002041-83-9.
What is the molecular formula of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate?
The molecular formula of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate is C16H14N4O3S3.
What is the molecular weight of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate?
The molecular weight of methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate is 406.02 g/mol.
Where can I buy methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate?
You can request a quote for methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.