2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- (CAS 86818-26-0) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid
Also Known As: 2H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-CHLOROPHENYL)-, 3-(4-Chlorophenyl)-2H-1,4-benzoxazine-6-acetic acid, 3-(p-Chlorophenyl)-2H-1,4-benzoxazine-6-acetic acid, 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid, [3-(4-CHLOROPHENYL)-2H-1,4-BENZOXAZIN-6-YL]ACETIC ACID
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 86818-26-0 |
|---|---|
| SMILES | C1C(=NC2=C(O1)C=CC(=C2)CC(=O)O)C3=CC=C(C=C3)Cl |
| InChIKey | IXGCAJDJYHSDRI-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- (CAS 86818-26-0), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-
The XLogP value of 3.2 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- 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)- 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 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- is 86818-26-0.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- is C16H12ClNO3.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- is 301.05 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.