Augustine
TL;DR: Augustine (CAS 79659-60-2) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene
Also Known As: augustine, 3-Methoxy-1,2-epoxycrinan, 1beta,2beta-Epoxy-3alpha-methoxycrinan, NCI60_038566, (5xi)-3alpha-Methoxy-1beta,2beta-1,2-epoxycrinan
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 79659-60-2 |
|---|---|
| SMILES | CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]6[C@H]1O6 |
| InChIKey | QLRRUWXMMVXORS-NRKLIOEPSA-N |
Product Overview
Augustine (CAS 79659-60-2), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene.
Chemical Property Profile of Augustine
Property Insights of Augustine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Augustine. With a topological polar surface area (TPSA) of 43.5 Ų, Augustine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Augustine has 0 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 Augustine?
The CAS number of Augustine is 79659-60-2.
What is the molecular formula of Augustine?
The molecular formula of Augustine is C17H19NO4.
What is the molecular weight of Augustine?
The molecular weight of Augustine is 301.13 g/mol.
Where can I buy Augustine?
You can request a quote for Augustine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Augustine?
Yes, KEHONG BIO provides custom synthesis services for Augustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.