ChemDiv1_008800
TL;DR: ChemDiv1_008800 (CAS 330829-15-7) is a chemical compound with molecular formula C25H25N5O3S2 and molecular weight 507.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methylphenyl]sulfonylmorpholine
Also Known As: ChemDiv1_008800, 1-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazine, 4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methylphenyl]sulfonylmorpholine, 4-((5-(4-((4,6-dimethylpyrimidin-2-yl)thio)phthalazin-1-yl)-2-methylphenyl)sulfonyl)morpholine
| Molecular Formula | C25H25N5O3S2 |
|---|---|
| Molecular Weight | 507.14 g/mol |
| LogP | 4.18416 |
| Topological Polar Surface Area | 98.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.1399 |
| Heavy Atoms | 35 |
| Complexity | 1499.0739 |
Chemical Identifiers
| CAS Number | 330829-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C)S(=O)(=O)N5CCOCC5 |
Product Overview
ChemDiv1_008800 (CAS 330829-15-7), with molecular formula C25H25N5O3S2 and molecular weight 507.14 g/mol. IUPAC: 4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methylphenyl]sulfonylmorpholine.
Chemical Property Profile of ChemDiv1_008800
Property Insights of ChemDiv1_008800
The XLogP value of 4.18416 indicates that ChemDiv1_008800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008800. Following Lipinski's Rule of Five, ChemDiv1_008800 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008800?
The CAS number of ChemDiv1_008800 is 330829-15-7.
What is the molecular formula of ChemDiv1_008800?
The molecular formula of ChemDiv1_008800 is C25H25N5O3S2.
What is the molecular weight of ChemDiv1_008800?
The molecular weight of ChemDiv1_008800 is 507.14 g/mol.
Where can I buy ChemDiv1_008800?
You can request a quote for ChemDiv1_008800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008800?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.