3-Allyl-5-chloro-2-benzoxazolinone
TL;DR: 3-Allyl-5-chloro-2-benzoxazolinone (CAS 24963-36-8) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-prop-2-enyl-1,3-benzoxazol-2-one
Also Known As: 3-Allyl-5-chloro-2-benzoxazolinone, 2-BENZOXAZOLINONE, 3-ALLYL-5-CHLORO-, 5-Chlor-3-allylbenzoxazol-2-on, 3-Allyl-5-chlorobenzoxazol-2(3H)-one, 3-allyl-5-chlorobenzo[d]oxazol-2(3H)-one
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 24963-36-8 |
|---|---|
| SMILES | C=CCN1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | QRRNAEXZIDFDBE-UHFFFAOYSA-N |
Product Overview
3-Allyl-5-chloro-2-benzoxazolinone (CAS 24963-36-8), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 5-chloro-3-prop-2-enyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-Allyl-5-chloro-2-benzoxazolinone
Property Insights of 3-Allyl-5-chloro-2-benzoxazolinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-chloro-2-benzoxazolinone. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Allyl-5-chloro-2-benzoxazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-chloro-2-benzoxazolinone 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-Allyl-5-chloro-2-benzoxazolinone?
The CAS number of 3-Allyl-5-chloro-2-benzoxazolinone is 24963-36-8.
What is the molecular formula of 3-Allyl-5-chloro-2-benzoxazolinone?
The molecular formula of 3-Allyl-5-chloro-2-benzoxazolinone is C10H8ClNO2.
What is the molecular weight of 3-Allyl-5-chloro-2-benzoxazolinone?
The molecular weight of 3-Allyl-5-chloro-2-benzoxazolinone is 209.02 g/mol.
Where can I buy 3-Allyl-5-chloro-2-benzoxazolinone?
You can request a quote for 3-Allyl-5-chloro-2-benzoxazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-chloro-2-benzoxazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-chloro-2-benzoxazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.