Ayuthianine
TL;DR: Ayuthianine (CAS 331840-50-7) 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.
(12S,13R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
Also Known As: Ayuthianine, (-)-Ayuthianine, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (7aS,8R)-, (12S,13R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol, (12S,13R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 331840-50-7 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=C4C=CC=C5OC)O)OCO3 |
| InChIKey | HYWVELCSGZINQW-ZWKOTPCHSA-N |
Product Overview
Ayuthianine (CAS 331840-50-7), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (12S,13R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol.
Chemical Property Profile of Ayuthianine
Property Insights of Ayuthianine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ayuthianine. With a topological polar surface area (TPSA) of 51.2 Ų, Ayuthianine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ayuthianine has 1 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 Ayuthianine?
The CAS number of Ayuthianine is 331840-50-7.
What is the molecular formula of Ayuthianine?
The molecular formula of Ayuthianine is C19H19NO4.
What is the molecular weight of Ayuthianine?
The molecular weight of Ayuthianine is 325.13 g/mol.
Where can I buy Ayuthianine?
You can request a quote for Ayuthianine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ayuthianine?
Yes, KEHONG BIO provides custom synthesis services for Ayuthianine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.