5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine
TL;DR: 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine (CAS 78749-76-5) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine
Also Known As: N-allyl-5-nitrobenzo[d]oxazol-2-amine, 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine, (5-nitrobenzoxazol-2-yl)prop-2-enylamine, F1097-0100
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 2.3339 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 547.23285 |
Chemical Identifiers
| CAS Number | 78749-76-5 |
|---|---|
| SMILES | C=CCNC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine (CAS 78749-76-5), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine.
Chemical Property Profile of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine
Property Insights of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine
The XLogP value of 2.3339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine. Following Lipinski's Rule of Five, 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine has 1 hydrogen bond donor(s) and 5 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 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine?
The CAS number of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine is 78749-76-5.
What is the molecular formula of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine?
The molecular formula of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine is C10H9N3O3.
What is the molecular weight of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine?
The molecular weight of 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine is 219.06 g/mol.
Where can I buy 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine?
You can request a quote for 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-N-prop-2-enyl-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.