6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one
TL;DR: 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one (CAS 54903-10-5) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one
Also Known As: 6-Chloroacetyl-2-benzoxazolinone, JPB 24, 6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one, 6-(2-chloroacetyl)benzo[d]oxazol-2(3h)-one, 2(3H)-Benzoxazolone, 6-(chloroacetyl)-
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 1.5426 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 540.22577 |
Chemical Identifiers
| CAS Number | 54903-10-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)CCl)OC(=O)N2 |
Product Overview
6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one (CAS 54903-10-5), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one
Property Insights of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one
The XLogP value of 1.5426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one 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-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one?
The CAS number of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one is 54903-10-5.
What is the molecular formula of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular formula of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one is C9H6ClNO3.
What is the molecular weight of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular weight of 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one is 211.00 g/mol.
Where can I buy 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one?
You can request a quote for 6-(2-Chloroacetyl)-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 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.