BAS 00431364
TL;DR: BAS 00431364 (CAS 330447-43-3) is a chemical compound with molecular formula C31H15N3O4 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,11-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,5(10),6,8,13,15,17(21),18-nonaene-4,12-dione
Also Known As: BAS 00431364, 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzo[4,5]isoquinolino[2,1-a]quinazoline-5,13-dione
| Molecular Formula | C31H15N3O4 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 4.9059 |
| Topological Polar Surface Area | 88.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 493.10626 |
| Heavy Atoms | 38 |
| Complexity | 2282.5786 |
Chemical Identifiers
| CAS Number | 330447-43-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=NC(=O)C5=C(N4C(=O)C3=CC=C2)C=C(C=C5)N6C(=O)C7=CC=CC8=C7C(=CC=C8)C6=O |
Product Overview
BAS 00431364 (CAS 330447-43-3), with molecular formula C31H15N3O4 and molecular weight 493.11 g/mol. IUPAC: 8-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3,11-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,5(10),6,8,13,15,17(21),18-nonaene-4,12-dione.
Chemical Property Profile of BAS 00431364
Property Insights of BAS 00431364
The XLogP value of 4.9059 indicates that BAS 00431364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00431364. Following Lipinski's Rule of Five, BAS 00431364 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 00431364?
The CAS number of BAS 00431364 is 330447-43-3.
What is the molecular formula of BAS 00431364?
The molecular formula of BAS 00431364 is C31H15N3O4.
What is the molecular weight of BAS 00431364?
The molecular weight of BAS 00431364 is 493.11 g/mol.
Where can I buy BAS 00431364?
You can request a quote for BAS 00431364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00431364?
Yes, KEHONG BIO provides custom synthesis services for BAS 00431364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.