ChemDiv2_004823
TL;DR: ChemDiv2_004823 (CAS 1005078-45-4) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: ChemDiv2_004823, BAS 06763231, IDI1_003538, propan-2-yl 1-oxo-2-(tetrahydrofuran-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, 4-Oxo-3-(tetrahydro-furan-2-ylmethyl)-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid isopropyl ester
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 1005078-45-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4CCCO4)O2 |
| InChIKey | ODFODHMLWHLQBT-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004823 (CAS 1005078-45-4), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: propan-2-yl 4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of ChemDiv2_004823
Property Insights of ChemDiv2_004823
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004823. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004823. Following Lipinski's Rule of Five, ChemDiv2_004823 has 0 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 ChemDiv2_004823?
The CAS number of ChemDiv2_004823 is 1005078-45-4.
What is the molecular formula of ChemDiv2_004823?
The molecular formula of ChemDiv2_004823 is C17H23NO5.
What is the molecular weight of ChemDiv2_004823?
The molecular weight of ChemDiv2_004823 is 321.16 g/mol.
Where can I buy ChemDiv2_004823?
You can request a quote for ChemDiv2_004823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004823?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.