ChemDiv1_001839
TL;DR: ChemDiv1_001839 (CAS 326013-19-8) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_001839, AB00130025-02, AF-399/12447609, F0303-0069, 2-(3-(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.2454 |
| Topological Polar Surface Area | 83.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 1432.5952 |
Chemical Identifiers
| CAS Number | 326013-19-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
ChemDiv1_001839 (CAS 326013-19-8), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: 2-[3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_001839
Property Insights of ChemDiv1_001839
The XLogP value of 4.2454 indicates that ChemDiv1_001839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001839. Following Lipinski's Rule of Five, ChemDiv1_001839 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_001839?
The CAS number of ChemDiv1_001839 is 326013-19-8.
What is the molecular formula of ChemDiv1_001839?
The molecular formula of ChemDiv1_001839 is C25H21N3O3S.
What is the molecular weight of ChemDiv1_001839?
The molecular weight of ChemDiv1_001839 is 443.13 g/mol.
Where can I buy ChemDiv1_001839?
You can request a quote for ChemDiv1_001839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001839?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.