(S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid
TL;DR: (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid (CAS 1212718-23-4) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.19507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid
Also Known As: (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid, N-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-valine, (2S)-2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid, 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C21H27N3O5 |
| Molecular Weight | 401.19507 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.19507 Da |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | SRMMTLDACGSFSW-KVULBXGLSA-N |
Chemical Property Profile of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid
Property Insights of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid 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
What is the CAS number of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
The CAS number of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid is 1212718-23-4.
What is the molecular formula of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
The molecular formula of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid is C21H27N3O5.
What is the molecular weight of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
The molecular weight of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid is 401.19507 g/mol.
Where can I buy (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
You can request a quote for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.