Akuammine
TL;DR: Akuammine (CAS 3512-87-6) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,9S,15R,19S)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3(8),4,6-triene-16-carboxylate
Also Known As: Akuammine, 5-methoxy-2,8,8-trimethyl-pyrano[2,3-h]chromen-4-one, Methyl (1S,9S,15R,19S)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3(8),4,6-triene-16-carboxylate
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 3512-87-6 |
|---|---|
| SMILES | CC=C1CN2CC[C@@]34C5=C(C=CC(=C5)O)N([C@@]36[C@@H]2C[C@H]1C4(CO6)C(=O)OC)C |
| InChIKey | YILKZADAWNUTTB-LPYPRUTJSA-N |
Product Overview
Akuammine (CAS 3512-87-6), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1S,9S,15R,19S)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3(8),4,6-triene-16-carboxylate.
Chemical Property Profile of Akuammine
Property Insights of Akuammine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Akuammine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Akuammine. Following Lipinski's Rule of Five, Akuammine has 1 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 Akuammine?
The CAS number of Akuammine is 3512-87-6.
What is the molecular formula of Akuammine?
The molecular formula of Akuammine is C22H26N2O4.
What is the molecular weight of Akuammine?
The molecular weight of Akuammine is 382.19 g/mol.
Where can I buy Akuammine?
You can request a quote for Akuammine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Akuammine?
Yes, KEHONG BIO provides custom synthesis services for Akuammine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.