RefChem:268035
TL;DR: RefChem:268035 (CAS 78587-70-9) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Also Known As: alpha-Methyl-3-(4-methylphenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, 2H-1,4-Benzoxazine-6-acetic acid, alpha-methyl-3-(4-methylphenyl)-2-oxo-, methyl ester, methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate, Methyl 2-[3-(4-methylphenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]propanoate, BRN 4538686
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 78587-70-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(C)C(=O)OC)OC2=O |
| InChIKey | WLMOKEHTSFINNA-UHFFFAOYSA-N |
Product Overview
RefChem:268035 (CAS 78587-70-9), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate.
Chemical Property Profile of RefChem:268035
Property Insights of RefChem:268035
The XLogP value of 3.7 indicates that RefChem:268035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268035. Following Lipinski's Rule of Five, RefChem:268035 has 0 hydrogen bond donor(s) and 5 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 RefChem:268035?
The CAS number of RefChem:268035 is 78587-70-9.
What is the molecular formula of RefChem:268035?
The molecular formula of RefChem:268035 is C19H17NO4.
What is the molecular weight of RefChem:268035?
The molecular weight of RefChem:268035 is 323.12 g/mol.
Where can I buy RefChem:268035?
You can request a quote for RefChem:268035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268035?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.