C22H17BrO3
TL;DR: C22H17BrO3 (CAS 444996-49-0) is a chemical compound with molecular formula C22H17BrO3 and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4-methyl-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-one
Also Known As: 3-(4-bromophenyl)-4-methyl-8,9,10,11-tetrahydro-7H-benzo[c]furo[2,3-f]chromen-7-one, 3-(4-bromophenyl)-4-methyl-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-one
| Molecular Formula | C22H17BrO3 |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 6.15592 |
| Topological Polar Surface Area | 43.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 408.0361 |
| Heavy Atoms | 26 |
| Complexity | 1212.5726 |
Chemical Identifiers
| CAS Number | 444996-49-0 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C4=C1C(=CO4)C5=CC=C(C=C5)Br |
Product Overview
C22H17BrO3 (CAS 444996-49-0), with molecular formula C22H17BrO3 and molecular weight 408.04 g/mol. IUPAC: 3-(4-bromophenyl)-4-methyl-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-one.
Chemical Property Profile of C22H17BrO3
Property Insights of C22H17BrO3
The XLogP value of 6.15592 indicates that C22H17BrO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.35 Ų, C22H17BrO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H17BrO3 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H17BrO3?
The CAS number of C22H17BrO3 is 444996-49-0.
What is the molecular formula of C22H17BrO3?
The molecular formula of C22H17BrO3 is C22H17BrO3.
What is the molecular weight of C22H17BrO3?
The molecular weight of C22H17BrO3 is 408.04 g/mol.
Where can I buy C22H17BrO3?
You can request a quote for C22H17BrO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17BrO3?
Yes, KEHONG BIO provides custom synthesis services for C22H17BrO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.