阿巴芬净
TL;DR: 阿巴芬净 (CAS 129639-79-8) 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.
阿巴芬净
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Also Known As: Laurotetanine, Litsoeine, Laurotetanin, Litsoene, trimethoxy[?]ol
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 129639-79-8 |
|---|---|
| SMILES | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC |
| InChIKey | GVVXPMORGFYVOO-UHFFFAOYSA-N |
Product Overview
阿巴芬净 (CAS 129639-79-8), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol.
Chemical Property Profile of 阿巴芬净
Property Insights of 阿巴芬净
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿巴芬净. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿巴芬净. Following Lipinski's Rule of Five, 阿巴芬净 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 阿巴芬净?
The CAS number of 阿巴芬净 is 129639-79-8.
What is the molecular formula of 阿巴芬净?
The molecular formula of 阿巴芬净 is C19H21NO4.
What is the molecular weight of 阿巴芬净?
The molecular weight of 阿巴芬净 is 327.15 g/mol.
Where can I buy 阿巴芬净?
You can request a quote for 阿巴芬净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿巴芬净?
Yes, KEHONG BIO provides custom synthesis services for 阿巴芬净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.