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Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
TL;DR: Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate (CAS 380347-82-0) is a chemical compound with molecular formula C11H11N3O2S2 and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
Also Known As: methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate, methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate, 4-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-benzoic acid methyl ester, methyl 4-[(5-amino-1,3,4-thiadiazol-2-ylthio)methyl]benzoate, methyl4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C11H11N3O2S2 |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 2.1992 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.02927 |
| Heavy Atoms | 18 |
| Complexity | 539.47626 |
Chemical Identifiers
| CAS Number | 380347-82-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N |
Product Overview
Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate (CAS 380347-82-0), with molecular formula C11H11N3O2S2 and molecular weight 281.03 g/mol. IUPAC: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
Property Insights of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
The XLogP value of 2.1992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate has 1 hydrogen bond donor(s) and 7 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-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The CAS number of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is 380347-82-0.
What is the molecular formula of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The molecular formula of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is C11H11N3O2S2.
What is the molecular weight of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
The molecular weight of Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate is 281.03 g/mol.
Where can I buy Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
You can request a quote for Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]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-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.