6-(1-Oxopropyl)-2(3H)-benzoxazolone
TL;DR: 6-(1-Oxopropyl)-2(3H)-benzoxazolone (CAS 54903-11-6) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propanoyl-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-(1-oxopropyl)-, 6-Propionyl-2-benzoxazolinone, 6-(1-Oxopropyl)-2(3H)-benzoxazolone, 6-Propanoylbenzoxazol-2(3H)-one, 6-propionyl-3H-benzoxazol-2-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.7138 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 535.5358 |
Chemical Identifiers
| CAS Number | 54903-11-6 |
|---|---|
| SMILES | CCC(=O)C1=CC2=C(C=C1)NC(=O)O2 |
Product Overview
6-(1-Oxopropyl)-2(3H)-benzoxazolone (CAS 54903-11-6), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 6-propanoyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-(1-Oxopropyl)-2(3H)-benzoxazolone
Property Insights of 6-(1-Oxopropyl)-2(3H)-benzoxazolone
The XLogP value of 1.7138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Oxopropyl)-2(3H)-benzoxazolone. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Oxopropyl)-2(3H)-benzoxazolone. Following Lipinski's Rule of Five, 6-(1-Oxopropyl)-2(3H)-benzoxazolone has 1 hydrogen bond donor(s) and 3 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 6-(1-Oxopropyl)-2(3H)-benzoxazolone?
The CAS number of 6-(1-Oxopropyl)-2(3H)-benzoxazolone is 54903-11-6.
What is the molecular formula of 6-(1-Oxopropyl)-2(3H)-benzoxazolone?
The molecular formula of 6-(1-Oxopropyl)-2(3H)-benzoxazolone is C10H9NO3.
What is the molecular weight of 6-(1-Oxopropyl)-2(3H)-benzoxazolone?
The molecular weight of 6-(1-Oxopropyl)-2(3H)-benzoxazolone is 191.06 g/mol.
Where can I buy 6-(1-Oxopropyl)-2(3H)-benzoxazolone?
You can request a quote for 6-(1-Oxopropyl)-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Oxopropyl)-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Oxopropyl)-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.