ChemDiv1_010553
TL;DR: ChemDiv1_010553 (CAS 439294-80-1) is a chemical compound with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-dimethylpyrimidin-2-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide
Also Known As: ChemDiv1_010553, BAS 03450551, AB00118637-01, N-(4,6-dimethylpyrimidin-2-yl)-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide, N-(4,6-dimethylpyrimidin-2-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide
| Molecular Formula | C23H26N4O3 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 2.81844 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.2005 |
| Heavy Atoms | 30 |
| Complexity | 931.41846 |
Chemical Identifiers
| CAS Number | 439294-80-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O)C |
Product Overview
ChemDiv1_010553 (CAS 439294-80-1), with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol. IUPAC: N-(4,6-dimethylpyrimidin-2-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide.
Chemical Property Profile of ChemDiv1_010553
Property Insights of ChemDiv1_010553
The XLogP value of 2.81844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010553. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010553. Following Lipinski's Rule of Five, ChemDiv1_010553 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_010553?
The CAS number of ChemDiv1_010553 is 439294-80-1.
What is the molecular formula of ChemDiv1_010553?
The molecular formula of ChemDiv1_010553 is C23H26N4O3.
What is the molecular weight of ChemDiv1_010553?
The molecular weight of ChemDiv1_010553 is 406.20 g/mol.
Where can I buy ChemDiv1_010553?
You can request a quote for ChemDiv1_010553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010553?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.