蔗果三糖
TL;DR: 蔗果三糖 (CAS 470-69-9) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蔗果三糖
2-ethoxy-3,5,7-trimethyl-3H-azepine
Also Known As: 2-ethoxy-3,5,7-trimethyl-3H-azepine, 2-ethoxy-3,5,7-trimethyl-3H-azepin, 2-Ethooxy-3,5,7-trimethyl-3H-azepin
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 470-69-9 |
|---|---|
| SMILES | CCOC1=NC(=CC(=CC1C)C)C |
| InChIKey | IGBQRYMCABNCMM-UHFFFAOYSA-N |
Product Overview
蔗果三糖 (CAS 470-69-9), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 2-ethoxy-3,5,7-trimethyl-3H-azepine.
Chemical Property Profile of 蔗果三糖
Property Insights of 蔗果三糖
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蔗果三糖. With a topological polar surface area (TPSA) of 21.6 Ų, 蔗果三糖 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蔗果三糖 has 0 hydrogen bond donor(s) and 2 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 蔗果三糖?
The CAS number of 蔗果三糖 is 470-69-9.
What is the molecular formula of 蔗果三糖?
The molecular formula of 蔗果三糖 is C11H17NO.
What is the molecular weight of 蔗果三糖?
The molecular weight of 蔗果三糖 is 179.13 g/mol.
Where can I buy 蔗果三糖?
You can request a quote for 蔗果三糖 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蔗果三糖?
Yes, KEHONG BIO provides custom synthesis services for 蔗果三糖 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.