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Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
TL;DR: Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate (CAS 768291-12-9) is a chemical compound with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
Also Known As: methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate, methyl 3-nitro-5-((5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl)benzoate, methyl 3-nitro-5-[N-(5-pentyl(1,3,4-thiadiazol-2-yl))carbamoyl]benzoate, METHYL 3-NITRO-5-{[(5-PENTYL-1,3,4-THIADIAZOL-2-YL)AMINO]CARBONYL}BENZOATE
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 3.2179 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 820.7215 |
Chemical Identifiers
| CAS Number | 768291-12-9 |
|---|---|
| SMILES | CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate (CAS 768291-12-9), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
Property Insights of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
The XLogP value of 3.2179 indicates that Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]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 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate?
The CAS number of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate is 768291-12-9.
What is the molecular formula of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate?
The molecular formula of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate is C16H18N4O5S.
What is the molecular weight of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate?
The molecular weight of Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate is 378.10 g/mol.
Where can I buy Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate?
You can request a quote for Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.