奥司他韦
TL;DR: 奥司他韦 (CAS 196618-13-0) is a chemical compound with molecular formula C16H28N2O4 and molecular weight 312.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥司他韦
ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
Also Known As: oseltamivir, Oseltamivir phosphate, Tamiflu (*Phosphate salt 1:1*), Tox21 111480, ethyl 5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
| Molecular Formula | C16H28N2O4 |
|---|---|
| Molecular Weight | 312.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.2049 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 196618-13-0 |
|---|---|
| SMILES | CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC |
| InChIKey | VSZGPKBBMSAYNT-UHFFFAOYSA-N |
Product Overview
奥司他韦 (CAS 196618-13-0), with molecular formula C16H28N2O4 and molecular weight 312.20 g/mol. IUPAC: ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate.
Chemical Property Profile of 奥司他韦
Property Insights of 奥司他韦
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奥司他韦. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 奥司他韦. Following Lipinski's Rule of Five, 奥司他韦 has 2 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 奥司他韦?
The CAS number of 奥司他韦 is 196618-13-0.
What is the molecular formula of 奥司他韦?
The molecular formula of 奥司他韦 is C16H28N2O4.
What is the molecular weight of 奥司他韦?
The molecular weight of 奥司他韦 is 312.20 g/mol.
Where can I buy 奥司他韦?
You can request a quote for 奥司他韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥司他韦?
Yes, KEHONG BIO provides custom synthesis services for 奥司他韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.