3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one
TL;DR: 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one (CAS 40888-03-7) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,3-benzoxazol-2-one
Also Known As: Maybridge3_007048, N-Benzyl benzoxazol-2-one, 3-benzyl-1,3-benzoxazol-2-one, 3-benzyl-2(3h)-benzoxazolone, 3-Benzylbenzoxazol-2(3H)-one
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 40888-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3OC2=O |
| InChIKey | YLCGDHFJQQKIBG-UHFFFAOYSA-N |
Product Overview
3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one (CAS 40888-03-7), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 3-benzyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one
Property Insights of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one has 0 hydrogen bond donor(s) and 2 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 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one?
The CAS number of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one is 40888-03-7.
What is the molecular formula of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular formula of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one is C14H11NO2.
What is the molecular weight of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular weight of 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one is 225.08 g/mol.
Where can I buy 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one?
You can request a quote for 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2,3-dihydro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.