Duopect
TL;DR: Duopect (CAS 76404-10-9) is a chemical compound with molecular formula C32H38ClNO12 and molecular weight 663.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;hydrochloride
Also Known As: Duopect, (3s)-6,7-dimethoxy-3-[(5r)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3h)-one- 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol hydrochloride(1:1:1), 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, hydrochloride, (S-(R*,S*))-, mixt. with 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol, (3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one--1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol--hydrogen chloride (1/1/1), (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol; hydrochloride
| Molecular Formula | C32H38ClNO12 |
|---|---|
| Molecular Weight | 663.21 g/mol |
| LogP | 3.091 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 663.20825 |
| Heavy Atoms | 46 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 76404-10-9 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.COC1=C(C=CC(=C1)C(C(CO)O)O)O.Cl |
| InChIKey | VTQRVURBARCSPK-WCRQIBMVSA-N |
Product Overview
Duopect (CAS 76404-10-9), with molecular formula C32H38ClNO12 and molecular weight 663.21 g/mol. IUPAC: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;hydrochloride.
Chemical Property Profile of Duopect
Property Insights of Duopect
The XLogP value of 3.091 indicates that Duopect is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Duopect may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Duopect has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duopect?
The CAS number of Duopect is 76404-10-9.
What is the molecular formula of Duopect?
The molecular formula of Duopect is C32H38ClNO12.
What is the molecular weight of Duopect?
The molecular weight of Duopect is 663.21 g/mol.
Where can I buy Duopect?
You can request a quote for Duopect directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duopect?
Yes, KEHONG BIO provides custom synthesis services for Duopect and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.