波尔定碱
TL;DR: 波尔定碱 (CAS 476-70-0) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
波尔定碱
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Also Known As: Boldine, Uniboldina, Boldin, (S)-Boldine, (+)-Boldine
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 476-70-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
| InChIKey | LZJRNLRASBVRRX-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
波尔定碱 (CAS 476-70-0), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.
Chemical Property Profile of 波尔定碱
Property Insights of 波尔定碱
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 波尔定碱. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 波尔定碱. Following Lipinski's Rule of Five, 波尔定碱 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 波尔定碱?
The CAS number of 波尔定碱 is 476-70-0.
What is the molecular formula of 波尔定碱?
The molecular formula of 波尔定碱 is C19H21NO4.
What is the molecular weight of 波尔定碱?
The molecular weight of 波尔定碱 is 327.15 g/mol.
Where can I buy 波尔定碱?
You can request a quote for 波尔定碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 波尔定碱?
Yes, KEHONG BIO provides custom synthesis services for 波尔定碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.