Coryrutine
TL;DR: Coryrutine (CAS 114517-04-3) is a chemical compound with molecular formula C22H25NO7 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-benzofuran-1-one
Also Known As: Coryrutine, N-[1-(4-BROMOPHENYL)PROPAN-2-YLIDENE]HYDROXYLAMINE, 1(3H)-Isobenzofuranone,3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-(9CI), 3-({6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}methyl)-3-hydroxy-6,7-dimethoxy-2-benzofuran-1(3h)-one, 1(3H)-Isobenzofuranone,3-((6-(2-(dimethylamino)ethyl)-1,3-benzodioxol-5-yl)methyl)-3-hydroxy-6,7-dimethoxy-
| Molecular Formula | C22H25NO7 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.16312 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 114517-04-3 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1CC3(C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O)OCO2 |
| InChIKey | KZIBQEOTBOACQA-UHFFFAOYSA-N |
Product Overview
Coryrutine (CAS 114517-04-3), with molecular formula C22H25NO7 and molecular weight 415.16 g/mol. IUPAC: 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-benzofuran-1-one.
Chemical Property Profile of Coryrutine
Property Insights of Coryrutine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coryrutine. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Coryrutine. Following Lipinski's Rule of Five, Coryrutine has 1 hydrogen bond donor(s) and 8 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 Coryrutine?
The CAS number of Coryrutine is 114517-04-3.
What is the molecular formula of Coryrutine?
The molecular formula of Coryrutine is C22H25NO7.
What is the molecular weight of Coryrutine?
The molecular weight of Coryrutine is 415.16 g/mol.
Where can I buy Coryrutine?
You can request a quote for Coryrutine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coryrutine?
Yes, KEHONG BIO provides custom synthesis services for Coryrutine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.