![ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate structure](/static/products/117/1173677-64-9.png)
ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate
TL;DR: ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate (CAS 1173677-64-9) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzoate
Also Known As: (S)-ethyl 3-(3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamido)benzoate, ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 3.409 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 1104.4077 |
Chemical Identifiers
| CAS Number | 1173677-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C(C)C)N2C=NC3=CC=CC=C3C2=O |
Product Overview
ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate (CAS 1173677-64-9), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: ethyl 3-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzoate.
Chemical Property Profile of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate
Property Insights of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate
The XLogP value of 3.409 indicates that ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate has 1 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 ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate?
The CAS number of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate is 1173677-64-9.
What is the molecular formula of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate?
The molecular formula of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate is C22H23N3O4.
What is the molecular weight of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate?
The molecular weight of ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate is 393.17 g/mol.
Where can I buy ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate?
You can request a quote for ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[(2S)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.