Hernandine
TL;DR: Hernandine (CAS 15583-41-2) is a chemical compound with molecular formula C19H19NO5 and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-17-ol
Also Known As: Hernandine, dimethoxy[?]ol, Hernandine [C19H19NO5 alkaloid], 5H-1,3-benzodioxolo(6,5,4-de)benzo(g)quinolin-11-ol, 6,7,7a,8-tetrahydro-4,12-dimethoxy-, (7aS)-, (12S)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),14(19),15,17-hexaen-17-ol
| Molecular Formula | C19H19NO5 |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1263 |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 15583-41-2 |
|---|---|
| SMILES | COC1=C2C(=C3C4=C1CCN[C@H]4CC5=C3C(=C(C=C5)O)OC)OCO2 |
| InChIKey | YXEGRGRGBCJQIV-NSHDSACASA-N |
Product Overview
Hernandine (CAS 15583-41-2), with molecular formula C19H19NO5 and molecular weight 341.13 g/mol. IUPAC: (12S)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-17-ol.
Chemical Property Profile of Hernandine
Property Insights of Hernandine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hernandine. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Hernandine. Following Lipinski's Rule of Five, Hernandine has 2 hydrogen bond donor(s) and 6 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 Hernandine?
The CAS number of Hernandine is 15583-41-2.
What is the molecular formula of Hernandine?
The molecular formula of Hernandine is C19H19NO5.
What is the molecular weight of Hernandine?
The molecular weight of Hernandine is 341.13 g/mol.
Where can I buy Hernandine?
You can request a quote for Hernandine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hernandine?
Yes, KEHONG BIO provides custom synthesis services for Hernandine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.