2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- (CAS 86818-31-7) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
Also Known As: alpha-Methyl-3-(4-methylphenyl)-2H-1,4-benzoxazine-6-acetic acid, 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-, 2-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid, alpha-Methyl-3- -2H-1,4-benzoxazine-6-aceticacid, BRN 4522299
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.69632 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 747.4276 |
Chemical Identifiers
| CAS Number | 86818-31-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(C)C(=O)O)OC2 |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- (CAS 86818-31-7), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 2-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-
The XLogP value of 3.69632 indicates that 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- has 1 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 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- is 86818-31-7.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- is C18H17NO3.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- is 295.12 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- 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, alpha-methyl-3-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.