ChemDiv1_005159
TL;DR: ChemDiv1_005159 (CAS 361480-74-2) is a chemical compound with molecular formula C30H22N2O5S and molecular weight 522.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide
Also Known As: ChemDiv1_005159, F0473-0268, N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide
| Molecular Formula | C30H22N2O5S |
|---|---|
| Molecular Weight | 522.12 g/mol |
| LogP | 4.4613 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.12494 |
| Heavy Atoms | 38 |
| Complexity | 1742.9359 |
Chemical Identifiers
| CAS Number | 361480-74-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O |
Product Overview
ChemDiv1_005159 (CAS 361480-74-2), with molecular formula C30H22N2O5S and molecular weight 522.12 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide.
Chemical Property Profile of ChemDiv1_005159
Property Insights of ChemDiv1_005159
The XLogP value of 4.4613 indicates that ChemDiv1_005159 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005159. Following Lipinski's Rule of Five, ChemDiv1_005159 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005159?
The CAS number of ChemDiv1_005159 is 361480-74-2.
What is the molecular formula of ChemDiv1_005159?
The molecular formula of ChemDiv1_005159 is C30H22N2O5S.
What is the molecular weight of ChemDiv1_005159?
The molecular weight of ChemDiv1_005159 is 522.12 g/mol.
Where can I buy ChemDiv1_005159?
You can request a quote for ChemDiv1_005159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005159?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.