RefChem:268020
TL;DR: RefChem:268020 (CAS 78587-68-5) is a chemical compound with molecular formula C18H14BrNO4 and molecular weight 387.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Also Known As: 3-(4-Bromophenyl)-alpha-methyl-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-2-oxo-, methyl ester, methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate, methyl 2-[3-(4-bromophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]propanoate, BRN 4545171
| Molecular Formula | C18H14BrNO4 |
|---|---|
| Molecular Weight | 387.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.01062 |
| Heavy Atoms | 24 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 78587-68-5 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Br)C(=O)OC |
| InChIKey | VOARSCQJFHKRAR-UHFFFAOYSA-N |
Product Overview
RefChem:268020 (CAS 78587-68-5), with molecular formula C18H14BrNO4 and molecular weight 387.01 g/mol. IUPAC: methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate.
Chemical Property Profile of RefChem:268020
Property Insights of RefChem:268020
The XLogP value of 4.0 indicates that RefChem:268020 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:268020. Following Lipinski's Rule of Five, RefChem:268020 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:268020?
The CAS number of RefChem:268020 is 78587-68-5.
What is the molecular formula of RefChem:268020?
The molecular formula of RefChem:268020 is C18H14BrNO4.
What is the molecular weight of RefChem:268020?
The molecular weight of RefChem:268020 is 387.01 g/mol.
Where can I buy RefChem:268020?
You can request a quote for RefChem:268020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.