(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate
TL;DR: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate (CAS 5392-06-3) is a chemical compound with molecular formula C22H22N4O7S and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
Also Known As: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate, [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
| Molecular Formula | C22H22N4O7S |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 1.04792 |
| Topological Polar Surface Area | 147.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1209 |
| Heavy Atoms | 34 |
| Complexity | 1412.2654 |
Chemical Identifiers
| CAS Number | 5392-06-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43 |
Product Overview
(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate (CAS 5392-06-3), with molecular formula C22H22N4O7S and molecular weight 486.12 g/mol. IUPAC: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate.
Chemical Property Profile of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate
Property Insights of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate
The XLogP value of 1.04792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate. The TPSA of 147.76 Ų indicates high polarity, suggesting (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate has 2 hydrogen bond donor(s) and 8 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 (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate?
The CAS number of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate is 5392-06-3.
What is the molecular formula of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate?
The molecular formula of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate is C22H22N4O7S.
What is the molecular weight of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate?
The molecular weight of (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate is 486.12 g/mol.
Where can I buy (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate?
You can request a quote for (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbamoylmethyl 4-oxo-3H-phthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.