AB00673481-01
TL;DR: AB00673481-01 (CAS 684231-91-2) is a chemical compound with molecular formula C29H25N3O4S and molecular weight 511.16 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-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
Also Known As: AB00673481-01, F1166-0040, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzamide, N-{2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-9-yl}-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
| Molecular Formula | C29H25N3O4S |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | 4.8192 |
| Topological Polar Surface Area | 86.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.1566 |
| Heavy Atoms | 37 |
| Complexity | 1679.723 |
Chemical Identifiers
| CAS Number | 684231-91-2 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5)C=CC=C3C1=O |
Product Overview
AB00673481-01 (CAS 684231-91-2), with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
Chemical Property Profile of AB00673481-01
Property Insights of AB00673481-01
The XLogP value of 4.8192 indicates that AB00673481-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673481-01. Following Lipinski's Rule of Five, AB00673481-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00673481-01?
The CAS number of AB00673481-01 is 684231-91-2.
What is the molecular formula of AB00673481-01?
The molecular formula of AB00673481-01 is C29H25N3O4S.
What is the molecular weight of AB00673481-01?
The molecular weight of AB00673481-01 is 511.16 g/mol.
Where can I buy AB00673481-01?
You can request a quote for AB00673481-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673481-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673481-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.