![methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate structure](/static/products/6132/613226-22-5.webp)
methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
TL;DR: methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate (CAS 613226-22-5) is a chemical compound with molecular formula C23H19N3O3S3 and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate, methyl 4-{2-[5-(naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benz oate, methyl 4-(2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-[2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C23H19N3O3S3 |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 5.501 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.05887 |
| Heavy Atoms | 32 |
| Complexity | 1236.7141 |
Chemical Identifiers
| CAS Number | 613226-22-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43 |
Product Overview
methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate (CAS 613226-22-5), with molecular formula C23H19N3O3S3 and molecular weight 481.06 g/mol. IUPAC: methyl 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Property Insights of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
The XLogP value of 5.501 indicates that methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-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 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The CAS number of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is 613226-22-5.
What is the molecular formula of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The molecular formula of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is C23H19N3O3S3.
What is the molecular weight of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The molecular weight of methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is 481.06 g/mol.
Where can I buy methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
You can request a quote for methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-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 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.