AB00684338-01
TL;DR: AB00684338-01 (CAS 391876-56-5) is a chemical compound with molecular formula C23H21N3O6S and molecular weight 467.12 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-(2-methoxy-4-nitrophenyl)benzamide
Also Known As: AB00684338-01, F0473-0277, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(2-methoxy-4-nitrophenyl)benzamide, N-(2-methoxy-4-nitrophenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxy-4-nitrophenyl)benzamide
| Molecular Formula | C23H21N3O6S |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 3.6027 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1151 |
| Heavy Atoms | 33 |
| Complexity | 1322.2783 |
Chemical Identifiers
| CAS Number | 391876-56-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
AB00684338-01 (CAS 391876-56-5), with molecular formula C23H21N3O6S and molecular weight 467.12 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxy-4-nitrophenyl)benzamide.
Chemical Property Profile of AB00684338-01
Property Insights of AB00684338-01
The XLogP value of 3.6027 indicates that AB00684338-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684338-01. Following Lipinski's Rule of Five, AB00684338-01 has 1 hydrogen bond donor(s) and 6 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 AB00684338-01?
The CAS number of AB00684338-01 is 391876-56-5.
What is the molecular formula of AB00684338-01?
The molecular formula of AB00684338-01 is C23H21N3O6S.
What is the molecular weight of AB00684338-01?
The molecular weight of AB00684338-01 is 467.12 g/mol.
Where can I buy AB00684338-01?
You can request a quote for AB00684338-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684338-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684338-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.