methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate
TL;DR: methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate (CAS 714239-53-9) is a chemical compound with molecular formula C12H10N4O5S and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate, methyl 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate, methyl [(5E)-5-{[(3-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
| Molecular Formula | C12H10N4O5S |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 1.4141 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0372 |
| Heavy Atoms | 22 |
| Complexity | 729.81165 |
Chemical Identifiers
| CAS Number | 714239-53-9 |
|---|---|
| SMILES | COC(=O)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate (CAS 714239-53-9), with molecular formula C12H10N4O5S and molecular weight 322.04 g/mol. IUPAC: methyl 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate
Property Insights of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 1.4141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate 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 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate is 714239-53-9.
What is the molecular formula of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate is C12H10N4O5S.
What is the molecular weight of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate is 322.04 g/mol.
Where can I buy methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.