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2H,3H-naphtho[2,3-d][1,3]oxazol-2-one
TL;DR: 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one (CAS 115164-17-5) is a chemical compound with molecular formula C11H7NO2 and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-benzo[f][1,3]benzoxazol-2-one
Also Known As: 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one, 3H-benzo[f][1,3]benzoxazol-2-one, Naphth[2,3-d]oxazol-2(3H)-one, 3-hydrobenzo[f]benzoxazol-2-one, 3H-Naphtho[2,3-d]oxazol-2-one
| Molecular Formula | C11H7NO2 |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.04768 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 115164-17-5 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)NC(=O)O3 |
| InChIKey | JDUCEMZGKRKKOW-UHFFFAOYSA-N |
Product Overview
2H,3H-naphtho[2,3-d][1,3]oxazol-2-one (CAS 115164-17-5), with molecular formula C11H7NO2 and molecular weight 185.05 g/mol. IUPAC: 3H-benzo[f][1,3]benzoxazol-2-one.
Chemical Property Profile of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one
Property Insights of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one. With a topological polar surface area (TPSA) of 38.3 Ų, 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one has 1 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 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one?
The CAS number of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one is 115164-17-5.
What is the molecular formula of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one?
The molecular formula of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one is C11H7NO2.
What is the molecular weight of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one?
The molecular weight of 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one is 185.05 g/mol.
Where can I buy 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one?
You can request a quote for 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2H,3H-naphtho[2,3-d][1,3]oxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.