2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-
TL;DR: 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- (CAS 54903-62-7) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloroacetyl)-3-methyl-1,3-benzoxazol-2-one
Also Known As: 6-(2-chloroacetyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-, 6-(2-chloroacetyl)-3-methyl-1,3-benzoxazol-2-one, 6-(Chloroacetyl)-3-methyl-2(3H)-benzoxazolone, 6-chloroacetyl-3-methylbenzoxazolinone
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.553 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 581.8553 |
Chemical Identifiers
| CAS Number | 54903-62-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)CCl)OC1=O |
Product Overview
2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- (CAS 54903-62-7), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 6-(2-chloroacetyl)-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-
Property Insights of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-
The XLogP value of 1.553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-. With a topological polar surface area (TPSA) of 52.21 Ų, 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- 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
Frequently Asked Questions
What is the CAS number of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-?
The CAS number of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- is 54903-62-7.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- is C10H8ClNO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- is 225.02 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.