ChemDiv1_022299
TL;DR: ChemDiv1_022299 (CAS 477536-93-9) is a chemical compound with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: ChemDiv1_022299, F0816-0460, 3-{2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-9-yl}-1-[4-(pyrrolidine-1-sulfonyl)benzoyl]thiourea, N-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)carbamothioyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C25H24N4O4S2 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 3.7312 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.1239 |
| Heavy Atoms | 35 |
| Complexity | 1462.8152 |
Chemical Identifiers
| CAS Number | 477536-93-9 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)NC(=S)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C=CC=C3C1=O |
Product Overview
ChemDiv1_022299 (CAS 477536-93-9), with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol. IUPAC: N-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of ChemDiv1_022299
Property Insights of ChemDiv1_022299
The XLogP value of 3.7312 indicates that ChemDiv1_022299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022299. Following Lipinski's Rule of Five, ChemDiv1_022299 has 2 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_022299?
The CAS number of ChemDiv1_022299 is 477536-93-9.
What is the molecular formula of ChemDiv1_022299?
The molecular formula of ChemDiv1_022299 is C25H24N4O4S2.
What is the molecular weight of ChemDiv1_022299?
The molecular weight of ChemDiv1_022299 is 508.12 g/mol.
Where can I buy ChemDiv1_022299?
You can request a quote for ChemDiv1_022299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022299?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.