(+)-Pennsylvanine
TL;DR: (+)-Pennsylvanine (CAS 53466-31-2) is a chemical compound with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
Also Known As: (+)-Pennsylvanine, 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol, O(C)c1c(OC)cc2CCN(C)C3Cc4cc(Oc5cc(OC)c(O)cc5CC6N(C)CCc7cc(OC)c(OC)cc67)c(OC)cc4c1c23, 5-((6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxy-4-((1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenol, 5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
| Molecular Formula | C40H46N2O8 |
|---|---|
| Molecular Weight | 682.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 682.32544 |
| Heavy Atoms | 50 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 53466-31-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC)OC)OC |
| InChIKey | UJDHNXMYMWDWQG-UHFFFAOYSA-N |
Product Overview
(+)-Pennsylvanine (CAS 53466-31-2), with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol. IUPAC: 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol.
Chemical Property Profile of (+)-Pennsylvanine
Property Insights of (+)-Pennsylvanine
The XLogP value of 6.3 indicates that (+)-Pennsylvanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Pennsylvanine. Following Lipinski's Rule of Five, (+)-Pennsylvanine has 1 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 (+)-Pennsylvanine?
The CAS number of (+)-Pennsylvanine is 53466-31-2.
What is the molecular formula of (+)-Pennsylvanine?
The molecular formula of (+)-Pennsylvanine is C40H46N2O8.
What is the molecular weight of (+)-Pennsylvanine?
The molecular weight of (+)-Pennsylvanine is 682.33 g/mol.
Where can I buy (+)-Pennsylvanine?
You can request a quote for (+)-Pennsylvanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Pennsylvanine?
Yes, KEHONG BIO provides custom synthesis services for (+)-Pennsylvanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.