BW 785U
TL;DR: BW 785U (CAS 71561-35-8) is a chemical compound with molecular formula C62H82Cl2N2O14 and molecular weight 1148.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl 3-[3-[3-[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propoxy]-3-oxopropyl]phenyl]propanoate dichloride
Also Known As: BW 785U, BW 785 U, BW785U, BW-785U, 3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl 3-[3-[3-[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propoxy]-3-oxopropyl]phenyl]propanoate;dichloride
| Molecular Formula | C62H82Cl2N2O14 |
|---|---|
| Molecular Weight | 1148.51 g/mol |
| LogP | 3.4858 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Exact Mass | 1148.5143 |
| Heavy Atoms | 80 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 71561-35-8 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC4=CC(=CC=C4)CCC(=O)OCCC[N+]5(CCC6=CC(=C(C=C6C5CC7=CC(=C(C(=C7)OC)OC)OC)OC)OC)C.[Cl-].[Cl-] |
| InChIKey | IHNPCWAOUZRLGR-UHFFFAOYSA-L |
Product Overview
BW 785U (CAS 71561-35-8), with molecular formula C62H82Cl2N2O14 and molecular weight 1148.51 g/mol. IUPAC: 3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl 3-[3-[3-[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propoxy]-3-oxopropyl]phenyl]propanoate dichloride.
Chemical Property Profile of BW 785U
Property Insights of BW 785U
The XLogP value of 3.4858 indicates that BW 785U is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting BW 785U may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BW 785U has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BW 785U?
The CAS number of BW 785U is 71561-35-8.
What is the molecular formula of BW 785U?
The molecular formula of BW 785U is C62H82Cl2N2O14.
What is the molecular weight of BW 785U?
The molecular weight of BW 785U is 1148.51 g/mol.
Where can I buy BW 785U?
You can request a quote for BW 785U directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BW 785U?
Yes, KEHONG BIO provides custom synthesis services for BW 785U and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.