C22H18BrNO4
TL;DR: C22H18BrNO4 (CAS 1023811-33-7) is a chemical compound with molecular formula C22H18BrNO4 and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: benzyl 2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, phenylmethyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-e ne-6-carboxylate
| Molecular Formula | C22H18BrNO4 |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 3.4789 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.04193 |
| Heavy Atoms | 28 |
| Complexity | 975.51184 |
Chemical Identifiers
| CAS Number | 1023811-33-7 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1C4=CC=CC=C4Br)C(=O)OCC5=CC=CC=C5 |
Product Overview
C22H18BrNO4 (CAS 1023811-33-7), with molecular formula C22H18BrNO4 and molecular weight 439.04 g/mol. IUPAC: benzyl 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of C22H18BrNO4
Property Insights of C22H18BrNO4
The XLogP value of 3.4789 indicates that C22H18BrNO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, C22H18BrNO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H18BrNO4 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 C22H18BrNO4?
The CAS number of C22H18BrNO4 is 1023811-33-7.
What is the molecular formula of C22H18BrNO4?
The molecular formula of C22H18BrNO4 is C22H18BrNO4.
What is the molecular weight of C22H18BrNO4?
The molecular weight of C22H18BrNO4 is 439.04 g/mol.
Where can I buy C22H18BrNO4?
You can request a quote for C22H18BrNO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H18BrNO4?
Yes, KEHONG BIO provides custom synthesis services for C22H18BrNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.