1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine
TL;DR: 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine (CAS 337494-25-4) is a chemical compound with molecular formula C8H7N5O3 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-nitro-1,3-benzoxazol-2-yl)guanidine
Also Known As: TOS-BB-1289, 1-(5-nitro-1,3-benzoxazol-2-yl)guanidine, BAS 01306678, 2-(5-nitro-1,3-benzoxazol-2-yl)guanidine, N-(5-Nitro-benzooxazol-2-yl)-guanidine
| Molecular Formula | C8H7N5O3 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 0.6409 |
| Topological Polar Surface Area | 133.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05489 |
| Heavy Atoms | 16 |
| Complexity | 584.37134 |
Chemical Identifiers
| CAS Number | 337494-25-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)N=C(N)N |
Product Overview
1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine (CAS 337494-25-4), with molecular formula C8H7N5O3 and molecular weight 221.05 g/mol. IUPAC: 2-(5-nitro-1,3-benzoxazol-2-yl)guanidine.
Chemical Property Profile of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine
Property Insights of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine
The XLogP value of 0.6409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine. The TPSA of 133.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine. Following Lipinski's Rule of Five, 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine has 2 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 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine?
The CAS number of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine is 337494-25-4.
What is the molecular formula of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine?
The molecular formula of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine is C8H7N5O3.
What is the molecular weight of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine?
The molecular weight of 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine is 221.05 g/mol.
Where can I buy 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine?
You can request a quote for 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitro-1,3-benzoxazol-2-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.