MixCom6_002339
TL;DR: MixCom6_002339 (CAS 6222-31-7) is a chemical compound with molecular formula C24H19NO5 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
Also Known As: MixCom6_002339, BIM-0047528.P001, 3-benzyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one, 3-benzyl-4-methyl-7-[(4-nitrobenzyl)oxy]-2H-chromen-2-one, 4-methyl-7-[(4-nitrophenyl)methoxy]-3-benzylchromen-2-one
| Molecular Formula | C24H19NO5 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 5.17942 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1263 |
| Heavy Atoms | 30 |
| Complexity | 1260.7671 |
Chemical Identifiers
| CAS Number | 6222-31-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
MixCom6_002339 (CAS 6222-31-7), with molecular formula C24H19NO5 and molecular weight 401.13 g/mol. IUPAC: 3-benzyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one.
Chemical Property Profile of MixCom6_002339
Property Insights of MixCom6_002339
The XLogP value of 5.17942 indicates that MixCom6_002339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002339. Following Lipinski's Rule of Five, MixCom6_002339 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002339?
The CAS number of MixCom6_002339 is 6222-31-7.
What is the molecular formula of MixCom6_002339?
The molecular formula of MixCom6_002339 is C24H19NO5.
What is the molecular weight of MixCom6_002339?
The molecular weight of MixCom6_002339 is 401.13 g/mol.
Where can I buy MixCom6_002339?
You can request a quote for MixCom6_002339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002339?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.