ChemDiv2_004867
TL;DR: ChemDiv2_004867 (CAS 956932-81-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: ChemDiv2_004867, BAS 06763237, IDI1_003582, methyl 1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, Methyl 1-oxo-2-phenethyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 956932-81-3 |
|---|---|
| SMILES | COC(=O)C1C2C=CC3(C1C(=O)N(C3)CCC4=CC=CC=C4)O2 |
| InChIKey | DOEYEWKFJDCWRZ-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004867 (CAS 956932-81-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: methyl 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of ChemDiv2_004867
Property Insights of ChemDiv2_004867
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004867. With a topological polar surface area (TPSA) of 55.8 Ų, ChemDiv2_004867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004867 has 0 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_004867?
The CAS number of ChemDiv2_004867 is 956932-81-3.
What is the molecular formula of ChemDiv2_004867?
The molecular formula of ChemDiv2_004867 is C18H19NO4.
What is the molecular weight of ChemDiv2_004867?
The molecular weight of ChemDiv2_004867 is 313.13 g/mol.
Where can I buy ChemDiv2_004867?
You can request a quote for ChemDiv2_004867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004867?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.