Opera_ID_1145
TL;DR: Opera_ID_1145 (CAS 1164458-14-3) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: 2-methylpropyl 2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, Isobutyl 2-(1-(4-methoxyphenyl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, 2-methylpropyl 3-[(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1 ,5>]dec-8-ene-6-carboxylate, Opera_ID_1145
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 2.7374 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 801.6501 |
Chemical Identifiers
| CAS Number | 1164458-14-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)OC)O2 |
Product Overview
Opera_ID_1145 (CAS 1164458-14-3), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: 2-methylpropyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of Opera_ID_1145
Property Insights of Opera_ID_1145
The XLogP value of 2.7374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_1145. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1145. Following Lipinski's Rule of Five, Opera_ID_1145 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 Opera_ID_1145?
The CAS number of Opera_ID_1145 is 1164458-14-3.
What is the molecular formula of Opera_ID_1145?
The molecular formula of Opera_ID_1145 is C22H27NO5.
What is the molecular weight of Opera_ID_1145?
The molecular weight of Opera_ID_1145 is 385.19 g/mol.
Where can I buy Opera_ID_1145?
You can request a quote for Opera_ID_1145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_1145?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_1145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.