(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 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 1.7216 |
| Topological Polar Surface Area | 121.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 1014.8839 |
Chemical Identifiers
| CAS Number | 1212718-23-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=O |
Product Overview
(S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid (CAS 1212718-23-4), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: (2S)-2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid.
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 1.7216 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 121.26 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 4 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)-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 401.20 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)-3-methylbutanoic acid?
Yes, KEHONG BIO 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.