Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester (CAS 86818-32-8) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate
Also Known As: 4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester, Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester, methyl 2-[4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate, Methyl [4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate, BRN 4533986
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.5687 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 738.06934 |
Chemical Identifiers
| CAS Number | 86818-32-8 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)OC2 |
Product Overview
Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester (CAS 86818-32-8), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: methyl 2-[4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester
The XLogP value of 3.5687 indicates that Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl 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, Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl 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 Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester is 86818-32-8.
What is the molecular formula of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester is C17H14ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester is 315.07 g/mol.
Where can I buy Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.