![methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate structure](/static/products/866/866134-77-2.png)
methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate
TL;DR: methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate (CAS 866134-77-2) is a chemical compound with molecular formula C13H14ClNO4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-chloroethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetate
Also Known As: methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate, methyl 2-[2-(2-chloroethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetate, 7X-0284, methyl2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate, Methyl 2-[8-(2-chloroethyl)-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-3-yl]acetate
| Molecular Formula | C13H14ClNO4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 1.7305 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.06113 |
| Heavy Atoms | 19 |
| Complexity | 503.41663 |
Chemical Identifiers
| CAS Number | 866134-77-2 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)OC(C(=O)N2)CCCl |
Product Overview
methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate (CAS 866134-77-2), with molecular formula C13H14ClNO4 and molecular weight 283.06 g/mol. IUPAC: methyl 2-[2-(2-chloroethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetate.
Chemical Property Profile of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate
Property Insights of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate
The XLogP value of 1.7305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate has 1 hydrogen bond donor(s) and 4 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 methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate?
The CAS number of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate is 866134-77-2.
What is the molecular formula of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate?
The molecular formula of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate is C13H14ClNO4.
What is the molecular weight of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate?
The molecular weight of methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate is 283.06 g/mol.
Where can I buy methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate?
You can request a quote for methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-(2-chloroethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.