N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine
TL;DR: N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine (CAS 5697-98-3) is a chemical compound with molecular formula C22H16N4O3 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide
Also Known As: N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine, BAS 13119228, N,N'-[(1,3-Benzoxazol-2-yl)carbonimidoyl]dibenzamide, N-[benzamido(1,3-benzoxazol-2-ylimino)methyl]benzamide, N-(1,3-BENZOXAZOL-2-YL)-N',N''-DIBENZOYLGUANIDINE
| Molecular Formula | C22H16N4O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.6753 |
| Topological Polar Surface Area | 96.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.12225 |
| Heavy Atoms | 29 |
| Complexity | 1095.909 |
Chemical Identifiers
| CAS Number | 5697-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=NC2=NC3=CC=CC=C3O2)NC(=O)C4=CC=CC=C4 |
Product Overview
N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine (CAS 5697-98-3), with molecular formula C22H16N4O3 and molecular weight 384.12 g/mol. IUPAC: N-[N'-(1,3-benzoxazol-2-yl)-N-benzoylcarbamimidoyl]benzamide.
Chemical Property Profile of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine
Property Insights of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine
The XLogP value of 3.6753 indicates that N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine. Following Lipinski's Rule of Five, N-Benzooxazol-2-yl-N',N''-dibenzoyl-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 N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine?
The CAS number of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine is 5697-98-3.
What is the molecular formula of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine?
The molecular formula of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine is C22H16N4O3.
What is the molecular weight of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine?
The molecular weight of N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine is 384.12 g/mol.
Where can I buy N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine?
You can request a quote for N-Benzooxazol-2-yl-N',N''-dibenzoyl-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',N''-dibenzoyl-guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.