C23H22BrNO3
TL;DR: C23H22BrNO3 (CAS 848995-35-7) is a chemical compound with molecular formula C23H22BrNO3 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-bromo-3-methylphenyl)-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
Also Known As: 10-(4-bromo-3-methylphenyl)-7-methyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one, 10-(4-bromo-3-methylphenyl)-7-methyl-1,2,3,4,10,11-hexahydrobenzo[3,4]chromeno[6,7-e][1,3]oxazin-5(9H)-one, 10-(4-bromo-3-methylphenyl)-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
| Molecular Formula | C23H22BrNO3 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 5.40764 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 439.0783 |
| Heavy Atoms | 28 |
| Complexity | 1164.9468 |
Chemical Identifiers
| CAS Number | 848995-35-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2CC3=CC4=C(C(=C3OC2)C)OC(=O)C5=C4CCCC5)Br |
Product Overview
C23H22BrNO3 (CAS 848995-35-7), with molecular formula C23H22BrNO3 and molecular weight 439.08 g/mol. IUPAC: 10-(4-bromo-3-methylphenyl)-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one.
Chemical Property Profile of C23H22BrNO3
Property Insights of C23H22BrNO3
The XLogP value of 5.40764 indicates that C23H22BrNO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, C23H22BrNO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H22BrNO3 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H22BrNO3?
The CAS number of C23H22BrNO3 is 848995-35-7.
What is the molecular formula of C23H22BrNO3?
The molecular formula of C23H22BrNO3 is C23H22BrNO3.
What is the molecular weight of C23H22BrNO3?
The molecular weight of C23H22BrNO3 is 439.08 g/mol.
Where can I buy C23H22BrNO3?
You can request a quote for C23H22BrNO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H22BrNO3?
Yes, KEHONG BIO provides custom synthesis services for C23H22BrNO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.