RefChem:327804
TL;DR: RefChem:327804 (CAS 69557-23-9) is a chemical compound with molecular formula C21H17N3O5 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid
Also Known As: Benzoic acid, 4-(3-(2-methyl-4-oxo-3(4H)-quinazolinyl)-2,6-dioxo-1-piperidinyl)-, Benzoic acid, p-(2,6-dioxo-3-(3,4-dihydro-2-methyl-4-oxo-3-quinazolinyl)piperidino)-, p-(2,6-Dioxo-3-(3,4-dihydro-2-methyl-4-oxo-3-quinazolinyl)piperidino)benzoic acid, 4-[3-(2-Methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoicacid, 4-[3-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-2,6-dioxopiperidin-1-yl]benzoic acid
| Molecular Formula | C21H17N3O5 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.11682 |
| Heavy Atoms | 29 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 69557-23-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O |
| InChIKey | ZBPIVKXLYMHYHV-UHFFFAOYSA-N |
Product Overview
RefChem:327804 (CAS 69557-23-9), with molecular formula C21H17N3O5 and molecular weight 391.12 g/mol. IUPAC: 4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid.
Chemical Property Profile of RefChem:327804
Property Insights of RefChem:327804
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327804. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327804. Following Lipinski's Rule of Five, RefChem:327804 has 1 hydrogen bond donor(s) and 6 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 RefChem:327804?
The CAS number of RefChem:327804 is 69557-23-9.
What is the molecular formula of RefChem:327804?
The molecular formula of RefChem:327804 is C21H17N3O5.
What is the molecular weight of RefChem:327804?
The molecular weight of RefChem:327804 is 391.12 g/mol.
Where can I buy RefChem:327804?
You can request a quote for RefChem:327804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.