![methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate structure](/static/products/4319/431909-40-9.webp)
methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
TL;DR: methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate (CAS 431909-40-9) is a chemical compound with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate, methyl 4-(2-((5-(((5,6,7,8-tetrahydronaphthalen-2-yl)oxy)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C23H23N3O5S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 4.0448 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.13583 |
| Heavy Atoms | 32 |
| Complexity | 1097.2662 |
Chemical Identifiers
| CAS Number | 431909-40-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)COC3=CC4=C(CCCC4)C=C3 |
Product Overview
methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate (CAS 431909-40-9), with molecular formula C23H23N3O5S and molecular weight 453.14 g/mol. IUPAC: methyl 4-[[2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Property Insights of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
The XLogP value of 4.0448 indicates that methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate has 1 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-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The CAS number of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is 431909-40-9.
What is the molecular formula of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The molecular formula of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is C23H23N3O5S.
What is the molecular weight of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
The molecular weight of methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate is 453.14 g/mol.
Where can I buy methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
You can request a quote for methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-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-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.