2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- (CAS 100476-59-3) is a chemical compound with molecular formula C21H15N3O3 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-, 3-(((4-(2-Benzoxazoyl)phenyl)amino)methyl)-2(3H)-benzoxazolone, 3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzoxazol-2-one, 3-{[4-(1,3-Benzoxazol-2-yl)anilino]methyl}-1,3-benzoxazol-2(3H)-one, BRN 6002901
| Molecular Formula | C21H15N3O3 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.4723 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.11133 |
| Heavy Atoms | 27 |
| Complexity | 1262.7716 |
Chemical Identifiers
| CAS Number | 100476-59-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NCN4C5=CC=CC=C5OC4=O |
Product Overview
2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- (CAS 100476-59-3), with molecular formula C21H15N3O3 and molecular weight 357.11 g/mol. IUPAC: 3-[[4-(1,3-benzoxazol-2-yl)anilino]methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-
The XLogP value of 4.4723 indicates that 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- 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 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is 100476-59-3.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is C21H15N3O3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- is 357.11 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-(((4-(2-benzoxazoyl)phenyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.