RefChem:1089915
TL;DR: RefChem:1089915 (CAS 106385-86-8) is a chemical compound with molecular formula C40H46I2N2O6 and molecular weight 904.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-3-yl)but-2-ynyl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol diiodide
Also Known As: N,N'-2-Butynylenebis(codeinium iodide), Morphinanium, 17,17'-(2-butynylene)bis(7,8-didehydro-4,5-alpha-epoxy-6-alpha-hydroxy-3-methoxy-17-methyl-, diiodide, 17,17'-(But-2-yne-1,4-diyl)bis(3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol) diiodide, RefChem:1089915
| Molecular Formula | C40H46I2N2O6 |
|---|---|
| Molecular Weight | 904.14 g/mol |
| LogP | -2.9432 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 904.14453 |
| Heavy Atoms | 50 |
| Complexity | 1759.0052 |
Chemical Identifiers
| CAS Number | 106385-86-8 |
|---|---|
| SMILES | C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)CC#CC[N+]6(CCC78C9C6CC1=C7C(=C(C=C1)OC)OC8C(C=C9)O)C.[I-].[I-] |
Product Overview
RefChem:1089915 (CAS 106385-86-8), with molecular formula C40H46I2N2O6 and molecular weight 904.14 g/mol. IUPAC: 3-[4-(7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-3-yl)but-2-ynyl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol diiodide.
Chemical Property Profile of RefChem:1089915
Property Insights of RefChem:1089915
The XLogP value of -2.9432 indicates that RefChem:1089915 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089915. Following Lipinski's Rule of Five, RefChem:1089915 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1089915?
The CAS number of RefChem:1089915 is 106385-86-8.
What is the molecular formula of RefChem:1089915?
The molecular formula of RefChem:1089915 is C40H46I2N2O6.
What is the molecular weight of RefChem:1089915?
The molecular weight of RefChem:1089915 is 904.14 g/mol.
Where can I buy RefChem:1089915?
You can request a quote for RefChem:1089915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089915?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.