BAS 00791825
TL;DR: BAS 00791825 (CAS 324045-05-8) is a chemical compound with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00791825, F0238-0003, diethyl 5-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-(4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}butanamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C27H26N2O7S |
|---|---|
| Molecular Weight | 522.15 g/mol |
| LogP | 4.57802 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.14606 |
| Heavy Atoms | 37 |
| Complexity | 1374.8707 |
Chemical Identifiers
| CAS Number | 324045-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
BAS 00791825 (CAS 324045-05-8), with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol. IUPAC: diethyl 5-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00791825
Property Insights of BAS 00791825
The XLogP value of 4.57802 indicates that BAS 00791825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00791825. Following Lipinski's Rule of Five, BAS 00791825 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00791825?
The CAS number of BAS 00791825 is 324045-05-8.
What is the molecular formula of BAS 00791825?
The molecular formula of BAS 00791825 is C27H26N2O7S.
What is the molecular weight of BAS 00791825?
The molecular weight of BAS 00791825 is 522.15 g/mol.
Where can I buy BAS 00791825?
You can request a quote for BAS 00791825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00791825?
Yes, KEHONG BIO provides custom synthesis services for BAS 00791825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.