BAS 00680539
TL;DR: BAS 00680539 (CAS 438461-94-0) is a chemical compound with molecular formula C19H16N2O7 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
Also Known As: BAS 00680539, 2-{4-nitrophenyl}-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate, 2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate, (3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-acetic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester, [2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
| Molecular Formula | C19H16N2O7 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 1.1278 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.09576 |
| Heavy Atoms | 28 |
| Complexity | 890.7148 |
Chemical Identifiers
| CAS Number | 438461-94-0 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00680539 (CAS 438461-94-0), with molecular formula C19H16N2O7 and molecular weight 384.10 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate.
Chemical Property Profile of BAS 00680539
Property Insights of BAS 00680539
The XLogP value of 1.1278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00680539. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00680539. Following Lipinski's Rule of Five, BAS 00680539 has 0 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 BAS 00680539?
The CAS number of BAS 00680539 is 438461-94-0.
What is the molecular formula of BAS 00680539?
The molecular formula of BAS 00680539 is C19H16N2O7.
What is the molecular weight of BAS 00680539?
The molecular weight of BAS 00680539 is 384.10 g/mol.
Where can I buy BAS 00680539?
You can request a quote for BAS 00680539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00680539?
Yes, KEHONG BIO provides custom synthesis services for BAS 00680539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.