N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine
TL;DR: N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine (CAS 332144-01-1) is a chemical compound with molecular formula C15H11N5O4 and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-nitrobenzamide
Also Known As: N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine, N-[amino(1,3-benzoxazol-2-ylamino)methylene]-4-nitrobenzamide, (E)-N-(amino(benzo[d]oxazol-2-ylamino)methylene)-4-nitrobenzamide, N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-nitrobenzamide
| Molecular Formula | C15H11N5O4 |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 2.1122 |
| Topological Polar Surface Area | 136.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.08112 |
| Heavy Atoms | 24 |
| Complexity | 912.91266 |
Chemical Identifiers
| CAS Number | 332144-01-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine (CAS 332144-01-1), with molecular formula C15H11N5O4 and molecular weight 325.08 g/mol. IUPAC: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-4-nitrobenzamide.
Chemical Property Profile of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine
Property Insights of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine
The XLogP value of 2.1122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine. The TPSA of 136.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine. Following Lipinski's Rule of Five, N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine 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 N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine?
The CAS number of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine is 332144-01-1.
What is the molecular formula of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine?
The molecular formula of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine is C15H11N5O4.
What is the molecular weight of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine?
The molecular weight of N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine is 325.08 g/mol.
Where can I buy N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine?
You can request a quote for N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzooxazol-2-yl-N'-(4-nitro-benzoyl)-guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.