starbld0007822
TL;DR: starbld0007822 (CAS 380487-89-8) is a chemical compound with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0007822, 2-Oxo-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethyl 2-(methylthio)nicotinate, [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C17H14N2O5S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 2.1741 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.06235 |
| Heavy Atoms | 25 |
| Complexity | 852.6819 |
Chemical Identifiers
| CAS Number | 380487-89-8 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3 |
Product Overview
starbld0007822 (CAS 380487-89-8), with molecular formula C17H14N2O5S and molecular weight 358.06 g/mol. IUPAC: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0007822
Property Insights of starbld0007822
The XLogP value of 2.1741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0007822. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0007822. Following Lipinski's Rule of Five, starbld0007822 has 1 hydrogen bond donor(s) and 7 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 starbld0007822?
The CAS number of starbld0007822 is 380487-89-8.
What is the molecular formula of starbld0007822?
The molecular formula of starbld0007822 is C17H14N2O5S.
What is the molecular weight of starbld0007822?
The molecular weight of starbld0007822 is 358.06 g/mol.
Where can I buy starbld0007822?
You can request a quote for starbld0007822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0007822?
Yes, KEHONG BIO provides custom synthesis services for starbld0007822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.