methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate
TL;DR: methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate (CAS 396098-49-0) is a chemical compound with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzoate
Also Known As: methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate, methyl 4-({4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-yl}amino)benzoate, Methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzoate, methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzoate
| Molecular Formula | C27H26N4O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 4.15632 |
| Topological Polar Surface Area | 110.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1624 |
| Heavy Atoms | 37 |
| Complexity | 1566.0392 |
Chemical Identifiers
| CAS Number | 396098-49-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)N5CCOCC5 |
Product Overview
methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate (CAS 396098-49-0), with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol. IUPAC: methyl 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzoate.
Chemical Property Profile of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate
Property Insights of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate
The XLogP value of 4.15632 indicates that methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.72 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate. Following Lipinski's Rule of Five, methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate has 1 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 methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate?
The CAS number of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate is 396098-49-0.
What is the molecular formula of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate?
The molecular formula of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate is C27H26N4O5S.
What is the molecular weight of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate?
The molecular weight of methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate is 518.16 g/mol.
Where can I buy methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate?
You can request a quote for methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((4-(4-methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.