BAS 00680532
TL;DR: BAS 00680532 (CAS 380237-98-9) is a chemical compound with molecular formula C24H18BrNO5 and molecular weight 479.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: BAS 00680532, UPCMLD0ENAT0505-6896:001, 2-(4-bromophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate, 2-(4-bromophenyl)-2-oxoethyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl}benzoate, [2-(4-bromophenyl)-2-oxoethyl] 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
| Molecular Formula | C24H18BrNO5 |
|---|---|
| Molecular Weight | 479.04 g/mol |
| LogP | 3.8003 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.03683 |
| Heavy Atoms | 31 |
| Complexity | 1091.6636 |
Chemical Identifiers
| CAS Number | 380237-98-9 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 00680532 (CAS 380237-98-9), with molecular formula C24H18BrNO5 and molecular weight 479.04 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of BAS 00680532
Property Insights of BAS 00680532
The XLogP value of 3.8003 indicates that BAS 00680532 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00680532. Following Lipinski's Rule of Five, BAS 00680532 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 BAS 00680532?
The CAS number of BAS 00680532 is 380237-98-9.
What is the molecular formula of BAS 00680532?
The molecular formula of BAS 00680532 is C24H18BrNO5.
What is the molecular weight of BAS 00680532?
The molecular weight of BAS 00680532 is 479.04 g/mol.
Where can I buy BAS 00680532?
You can request a quote for BAS 00680532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00680532?
Yes, KEHONG BIO provides custom synthesis services for BAS 00680532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.