ChemDiv2_004345
TL;DR: ChemDiv2_004345 (CAS 313702-92-0) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
Also Known As: ChemDiv2_004345, IDI1_003060, BAS 01579477, 1-benzyl-3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1,3-dihydro-2H-indol-2-one, 1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 313702-92-0 |
|---|---|
| SMILES | CC1(CC(=O)C(CO1)C2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)O)C |
| InChIKey | RRQAIKSSQURGAN-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004345 (CAS 313702-92-0), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: 1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one.
Chemical Property Profile of ChemDiv2_004345
Property Insights of ChemDiv2_004345
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004345. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004345. Following Lipinski's Rule of Five, ChemDiv2_004345 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 ChemDiv2_004345?
The CAS number of ChemDiv2_004345 is 313702-92-0.
What is the molecular formula of ChemDiv2_004345?
The molecular formula of ChemDiv2_004345 is C22H23NO4.
What is the molecular weight of ChemDiv2_004345?
The molecular weight of ChemDiv2_004345 is 365.16 g/mol.
Where can I buy ChemDiv2_004345?
You can request a quote for ChemDiv2_004345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004345?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.