C20H22BrNO4
TL;DR: C20H22BrNO4 (CAS 1009317-36-5) is a chemical compound with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: pentyl 2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, pentyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene-6-c arboxylate
| Molecular Formula | C20H22BrNO4 |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 3.4689 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0732 |
| Heavy Atoms | 26 |
| Complexity | 763.933 |
Chemical Identifiers
| CAS Number | 1009317-36-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC=C4Br)O2 |
Product Overview
C20H22BrNO4 (CAS 1009317-36-5), with molecular formula C20H22BrNO4 and molecular weight 419.07 g/mol. IUPAC: pentyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of C20H22BrNO4
Property Insights of C20H22BrNO4
The XLogP value of 3.4689 indicates that C20H22BrNO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, C20H22BrNO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22BrNO4 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 C20H22BrNO4?
The CAS number of C20H22BrNO4 is 1009317-36-5.
What is the molecular formula of C20H22BrNO4?
The molecular formula of C20H22BrNO4 is C20H22BrNO4.
What is the molecular weight of C20H22BrNO4?
The molecular weight of C20H22BrNO4 is 419.07 g/mol.
Where can I buy C20H22BrNO4?
You can request a quote for C20H22BrNO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22BrNO4?
Yes, KEHONG BIO provides custom synthesis services for C20H22BrNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.