ChemDiv2_001203
TL;DR: ChemDiv2_001203 (CAS 442648-64-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(oxolan-2-ylmethyl)-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
Also Known As: ChemDiv2_001203, BAS 04375860, 2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide, 2-methyl-N-(oxolan-2-ylmethyl)-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide, 5-(4-hydroxyphthalazin-1-yl)-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.35582 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1181.5203 |
Chemical Identifiers
| CAS Number | 442648-64-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)NCC4CCCO4 |
Product Overview
ChemDiv2_001203 (CAS 442648-64-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 2-methyl-N-(oxolan-2-ylmethyl)-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv2_001203
Property Insights of ChemDiv2_001203
The XLogP value of 2.35582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001203. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001203. Following Lipinski's Rule of Five, ChemDiv2_001203 has 2 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 ChemDiv2_001203?
The CAS number of ChemDiv2_001203 is 442648-64-8.
What is the molecular formula of ChemDiv2_001203?
The molecular formula of ChemDiv2_001203 is C20H21N3O4S.
What is the molecular weight of ChemDiv2_001203?
The molecular weight of ChemDiv2_001203 is 399.13 g/mol.
Where can I buy ChemDiv2_001203?
You can request a quote for ChemDiv2_001203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001203?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.