6A,7-Dehydroboldine
TL;DR: 6A,7-Dehydroboldine (CAS 91599-23-4) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol
Also Known As: 6a,7-Dehydroboldine, Boldine, 1,10-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-2,9-diol, 2,7-Dinitro-9-oxo-9H-fluorene-4-carbonitrile, 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6-dihydro-1,10-dimethoxy-6-methyl-
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 91599-23-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)O)OC)OC)O |
| InChIKey | XPRXRILREFALSL-UHFFFAOYSA-N |
Product Overview
6A,7-Dehydroboldine (CAS 91599-23-4), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol.
Chemical Property Profile of 6A,7-Dehydroboldine
Property Insights of 6A,7-Dehydroboldine
The XLogP value of 3.8 indicates that 6A,7-Dehydroboldine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6A,7-Dehydroboldine. Following Lipinski's Rule of Five, 6A,7-Dehydroboldine 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 6A,7-Dehydroboldine?
The CAS number of 6A,7-Dehydroboldine is 91599-23-4.
What is the molecular formula of 6A,7-Dehydroboldine?
The molecular formula of 6A,7-Dehydroboldine is C19H19NO4.
What is the molecular weight of 6A,7-Dehydroboldine?
The molecular weight of 6A,7-Dehydroboldine is 325.13 g/mol.
Where can I buy 6A,7-Dehydroboldine?
You can request a quote for 6A,7-Dehydroboldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6A,7-Dehydroboldine?
Yes, KEHONG BIO provides custom synthesis services for 6A,7-Dehydroboldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.