Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate
TL;DR: Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate (CAS 300705-39-9) is a chemical compound with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate, Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate, pentyl 6-nitro-2-oxobenzo[d]oxazole-3(2H)-carboxylate, Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate #, Benzoxazol 3-carboxylic acid, 2,3-dihydro-2-oxo-6-nitro-, pentyl ester
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 300705-39-9 |
|---|---|
| SMILES | CCCCCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O |
| InChIKey | JNTAJDCLTLGLOZ-UHFFFAOYSA-N |
Product Overview
Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate (CAS 300705-39-9), with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol. IUPAC: pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate
Property Insights of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate
The XLogP value of 3.1 indicates that Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate. Following Lipinski's Rule of Five, Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate has 0 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 Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate?
The CAS number of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate is 300705-39-9.
What is the molecular formula of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate?
The molecular formula of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate is C13H14N2O6.
What is the molecular weight of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate?
The molecular weight of Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate is 294.09 g/mol.
Where can I buy Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate?
You can request a quote for Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.