2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester (CAS 86818-20-4) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetate
Also Known As: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester, ethyl 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetate, 3-(4-Chlorophenyl)-2H-1,4-benzoxazine-6-acetic acid ethyl ester, Ethyl [3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetate, BRN 4534314
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.9588 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 753.36206 |
Chemical Identifiers
| CAS Number | 86818-20-4 |
|---|---|
| SMILES | CCOC(=O)CC1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Cl |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester (CAS 86818-20-4), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: ethyl 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetate.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester
The XLogP value of 3.9588 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.89 Ų, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester has 0 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 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester is 86818-20-4.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester is C18H16ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester is 329.08 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.