2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-
TL;DR: 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- (CAS 115444-28-5) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-propanoyl-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-, 5-chloro-3-propanoyl-1,3-benzoxazol-2-one, 5-Chloro-3-propanoyl-1,3-benzoxazol-2(3H)-one
Technical Specifications
| Molecular Formula | C10H8ClNO3 |
| Molecular Weight | 225.01927 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.01927 Da |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
| SMILES | CCC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | XGUXVRYGXOYDMV-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-
Property Insights of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-?
The CAS number of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- is 115444-28-5.
What is the molecular formula of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- is C10H8ClNO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- is 225.01927 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)-?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzoxazolone, 5-chloro-3-(1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.