ChemDiv3_002394
TL;DR: ChemDiv3_002394 (CAS 387833-97-8) is a chemical compound with molecular formula C25H23ClN6O3 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[N'-[(4-chlorophenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
Also Known As: ChemDiv3_002394, BRD-A77532251-001-01-1, N-{(Z)-[(4-chlorobenzyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide, (Z)-N-(((4-chlorobenzyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-2-(1,3-dioxoisoindolin-2-yl)propanamide, 2-((3Z)-4-[(4,6-dimethylpyrimidin-2-yl)amino]-4-{[(4-chlorophenyl)methyl]amino }-1-methyl-2-oxo-3-azabut-3-enyl)benzo[c]azoline-1,3-dione
| Molecular Formula | C25H23ClN6O3 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 3.51584 |
| Topological Polar Surface Area | 116.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.152 |
| Heavy Atoms | 35 |
| Complexity | 1284.0337 |
Chemical Identifiers
| CAS Number | 387833-97-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCC2=CC=C(C=C2)Cl)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)C |
Product Overview
ChemDiv3_002394 (CAS 387833-97-8), with molecular formula C25H23ClN6O3 and molecular weight 490.15 g/mol. IUPAC: N-[N'-[(4-chlorophenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
Chemical Property Profile of ChemDiv3_002394
Property Insights of ChemDiv3_002394
The XLogP value of 3.51584 indicates that ChemDiv3_002394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002394. Following Lipinski's Rule of Five, ChemDiv3_002394 has 2 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 ChemDiv3_002394?
The CAS number of ChemDiv3_002394 is 387833-97-8.
What is the molecular formula of ChemDiv3_002394?
The molecular formula of ChemDiv3_002394 is C25H23ClN6O3.
What is the molecular weight of ChemDiv3_002394?
The molecular weight of ChemDiv3_002394 is 490.15 g/mol.
Where can I buy ChemDiv3_002394?
You can request a quote for ChemDiv3_002394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.