ChemDiv3_005091
TL;DR: ChemDiv3_005091 (CAS 836626-37-0) is a chemical compound with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide
Also Known As: ChemDiv3_005091, IDI1_023001, BRD-K01912692-001-01-1, N-(2-morpholino-5-(4-(phenylamino)phthalazin-1-yl)phenyl)methanesulfonamide, N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 4.2485 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1421.4529 |
Chemical Identifiers
| CAS Number | 836626-37-0 |
|---|---|
| SMILES | CS(=O)(=O)NC1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4)N5CCOCC5 |
Product Overview
ChemDiv3_005091 (CAS 836626-37-0), with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol. IUPAC: N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide.
Chemical Property Profile of ChemDiv3_005091
Property Insights of ChemDiv3_005091
The XLogP value of 4.2485 indicates that ChemDiv3_005091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005091. Following Lipinski's Rule of Five, ChemDiv3_005091 has 2 hydrogen bond donor(s) and 7 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_005091?
The CAS number of ChemDiv3_005091 is 836626-37-0.
What is the molecular formula of ChemDiv3_005091?
The molecular formula of ChemDiv3_005091 is C25H25N5O3S.
What is the molecular weight of ChemDiv3_005091?
The molecular weight of ChemDiv3_005091 is 475.17 g/mol.
Where can I buy ChemDiv3_005091?
You can request a quote for ChemDiv3_005091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005091?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.