1,4-Didesmethylthalicarpine
TL;DR: 1,4-Didesmethylthalicarpine (CAS 61193-40-6) is a chemical compound with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-5-hydroxy-4-methoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Also Known As: 1,4-Didesmethylthalicarpine, RA 26 B, DESMETHYLTHALICARPINE,4-DI-, Oc1c(OC)cc2CCN(C)C3Cc4cc(Oc5cc(O)c(OC)cc5CC6N(C)CCc7cc(OC)c(OC)cc67)c(OC)cc4c1c23, 9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-5-hydroxy-4-methoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
| Molecular Formula | C39H44N2O8 |
|---|---|
| Molecular Weight | 668.31 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 668.30975 |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 61193-40-6 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)O)O)OC |
| InChIKey | BGMLTQAUEBQTJI-UHFFFAOYSA-N |
Product Overview
1,4-Didesmethylthalicarpine (CAS 61193-40-6), with molecular formula C39H44N2O8 and molecular weight 668.31 g/mol. IUPAC: 9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-5-hydroxy-4-methoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
Chemical Property Profile of 1,4-Didesmethylthalicarpine
Property Insights of 1,4-Didesmethylthalicarpine
The XLogP value of 6.0 indicates that 1,4-Didesmethylthalicarpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Didesmethylthalicarpine. Following Lipinski's Rule of Five, 1,4-Didesmethylthalicarpine 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 1,4-Didesmethylthalicarpine?
The CAS number of 1,4-Didesmethylthalicarpine is 61193-40-6.
What is the molecular formula of 1,4-Didesmethylthalicarpine?
The molecular formula of 1,4-Didesmethylthalicarpine is C39H44N2O8.
What is the molecular weight of 1,4-Didesmethylthalicarpine?
The molecular weight of 1,4-Didesmethylthalicarpine is 668.31 g/mol.
Where can I buy 1,4-Didesmethylthalicarpine?
You can request a quote for 1,4-Didesmethylthalicarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Didesmethylthalicarpine?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Didesmethylthalicarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.