ChemDiv1_005183
TL;DR: ChemDiv1_005183 (CAS 326007-85-6) is a chemical compound with molecular formula C31H33N3O5S and molecular weight 559.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005183, 2-((1-(4-(azepan-1-ylsulfonyl)benzoyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0818-0054, 3-({1-[4-(azepane-1-sulfonyl)benzoyl]piperidin-4-yl}methyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[[1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C31H33N3O5S |
|---|---|
| Molecular Weight | 559.21 g/mol |
| LogP | 4.5529 |
| Topological Polar Surface Area | 95.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.2141 |
| Heavy Atoms | 40 |
| Complexity | 1517.5087 |
Chemical Identifiers
| CAS Number | 326007-85-6 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_005183 (CAS 326007-85-6), with molecular formula C31H33N3O5S and molecular weight 559.21 g/mol. IUPAC: 2-[[1-[4-(azepan-1-ylsulfonyl)benzoyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005183
Property Insights of ChemDiv1_005183
The XLogP value of 4.5529 indicates that ChemDiv1_005183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005183. Following Lipinski's Rule of Five, ChemDiv1_005183 has 0 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_005183?
The CAS number of ChemDiv1_005183 is 326007-85-6.
What is the molecular formula of ChemDiv1_005183?
The molecular formula of ChemDiv1_005183 is C31H33N3O5S.
What is the molecular weight of ChemDiv1_005183?
The molecular weight of ChemDiv1_005183 is 559.21 g/mol.
Where can I buy ChemDiv1_005183?
You can request a quote for ChemDiv1_005183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005183?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.