RefChem:1057576
TL;DR: RefChem:1057576 (CAS 106301-69-3) is a chemical compound with molecular formula C38H42Cl2N2O8 and molecular weight 724.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4a-hydroxy-9-methoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-yl)but-2-ynyl]-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;dihydrochloride
Also Known As: 1,4-Bis(14-hydroxydihydronorcodeinone)-2-butyne dihydrochloride, Norcodeinone, N,N'-2-butynylenebis(7,8-dihydro-14-hydroxy-, dihydrochloride, Morphinan-6-one, 17,17'-(2-butynylene)bis(4,5-alpha-epoxy-14-hydroxy-3-methoxy-, dihydrochloride, 17,17'-(But-2-yne-1,4-diyl)bis(14-hydroxy-3-methoxy-4,5-epoxymorphinan-6-one)--hydrogen chloride (1/2), RefChem:1057576
| Molecular Formula | C38H42Cl2N2O8 |
|---|---|
| Molecular Weight | 724.23 g/mol |
| LogP | 2.6974 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 724.2318 |
| Heavy Atoms | 50 |
| Complexity | 1763.9708 |
Chemical Identifiers
| CAS Number | 106301-69-3 |
|---|---|
| SMILES | COC1=C2C3=C(CC4C5(C3(CCN4CC#CCN6CCC78C9C(=O)CCC7(C6CC3=C8C(=C(C=C3)OC)O9)O)C(O2)C(=O)CC5)O)C=C1.Cl.Cl |
Product Overview
RefChem:1057576 (CAS 106301-69-3), with molecular formula C38H42Cl2N2O8 and molecular weight 724.23 g/mol. IUPAC: 3-[4-(4a-hydroxy-9-methoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-yl)but-2-ynyl]-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;dihydrochloride.
Chemical Property Profile of RefChem:1057576
Property Insights of RefChem:1057576
The XLogP value of 2.6974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057576. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057576. Following Lipinski's Rule of Five, RefChem:1057576 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057576?
The CAS number of RefChem:1057576 is 106301-69-3.
What is the molecular formula of RefChem:1057576?
The molecular formula of RefChem:1057576 is C38H42Cl2N2O8.
What is the molecular weight of RefChem:1057576?
The molecular weight of RefChem:1057576 is 724.23 g/mol.
Where can I buy RefChem:1057576?
You can request a quote for RefChem:1057576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057576?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.