Nitractin
TL;DR: Nitractin (CAS 3690-88-8) is a chemical compound with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Nitractin, methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-Oxo-4-(5-nitro-2-furyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid methyl ester, methyl 6-methyl-4-(5-nitro-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C11H11N3O6 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 0.9887 |
| Topological Polar Surface Area | 123.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.0648 |
| Heavy Atoms | 20 |
| Complexity | 617.42957 |
Chemical Identifiers
| CAS Number | 3690-88-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC |
Product Overview
Nitractin (CAS 3690-88-8), with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol. IUPAC: methyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Nitractin
Property Insights of Nitractin
The XLogP value of 0.9887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitractin. The TPSA of 123.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitractin. Following Lipinski's Rule of Five, Nitractin has 2 hydrogen bond donor(s) and 6 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 Nitractin?
The CAS number of Nitractin is 3690-88-8.
What is the molecular formula of Nitractin?
The molecular formula of Nitractin is C11H11N3O6.
What is the molecular weight of Nitractin?
The molecular weight of Nitractin is 281.06 g/mol.
Where can I buy Nitractin?
You can request a quote for Nitractin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitractin?
Yes, KEHONG BIO provides custom synthesis services for Nitractin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.