ChemDiv3_005152
TL;DR: ChemDiv3_005152 (CAS 77960-22-6) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: ChemDiv3_005152, 3,5-dimethyl-4-propyl-1H-pyrazole, 1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, IDI1_023062, BAS 04880664
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 77960-22-6 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CCC4=CC=CC=C4)C(=O)O |
| InChIKey | MPBLVPMGVIUHFH-UHFFFAOYSA-N |
Product Overview
ChemDiv3_005152 (CAS 77960-22-6), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of ChemDiv3_005152
Property Insights of ChemDiv3_005152
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005152. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005152. Following Lipinski's Rule of Five, ChemDiv3_005152 has 1 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 ChemDiv3_005152?
The CAS number of ChemDiv3_005152 is 77960-22-6.
What is the molecular formula of ChemDiv3_005152?
The molecular formula of ChemDiv3_005152 is C17H17NO4.
What is the molecular weight of ChemDiv3_005152?
The molecular weight of ChemDiv3_005152 is 299.12 g/mol.
Where can I buy ChemDiv3_005152?
You can request a quote for ChemDiv3_005152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005152?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.