(S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate (CAS 1173665-98-9) is a chemical compound with molecular formula C23H26N4O4 and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate
Also Known As: (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate, methyl N-{[5-(4-hydroxyphthalazin-1-yl)-2-methylphenyl]carbamoyl}-L-leucinate, methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate
| Molecular Formula | C23H26N4O4 |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 3.60772 |
| Topological Polar Surface Area | 113.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1954 |
| Heavy Atoms | 31 |
| Complexity | 1169.6953 |
Chemical Identifiers
| CAS Number | 1173665-98-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](CC(C)C)C(=O)OC |
Product Overview
(S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate (CAS 1173665-98-9), with molecular formula C23H26N4O4 and molecular weight 422.20 g/mol. IUPAC: methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate.
Chemical Property Profile of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate
The XLogP value of 3.60772 indicates that (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate has 3 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 (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate is 1173665-98-9.
What is the molecular formula of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate is C23H26N4O4.
What is the molecular weight of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate is 422.20 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.