5'-O-Octanoyl AZT
TL;DR: 5'-O-Octanoyl AZT (CAS 106060-77-9) is a chemical compound with molecular formula C18H27N5O5 and molecular weight 393.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate
Also Known As: 5'-O-Octanoyl AZT, 5'-O-Octanoyl-3'-azido-3'-deoxythymidine, Thymidine, 3'-azido-3'-deoxy-, 5'-octanoate, 3'-Azido-3'-deoxy-5'-O-octanoylthymidine, 3'-Azido-3'-Deoxy-Thymidine 5'-Octanoate
| Molecular Formula | C18H27N5O5 |
|---|---|
| Molecular Weight | 393.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 393.20123 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 106060-77-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
| InChIKey | BZEPXKPTNQMXFG-RRFJBIMHSA-N |
Product Overview
5'-O-Octanoyl AZT (CAS 106060-77-9), with molecular formula C18H27N5O5 and molecular weight 393.20 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octanoate.
Chemical Property Profile of 5'-O-Octanoyl AZT
Property Insights of 5'-O-Octanoyl AZT
The XLogP value of 3.6 indicates that 5'-O-Octanoyl AZT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-O-Octanoyl AZT. Following Lipinski's Rule of Five, 5'-O-Octanoyl AZT has 1 hydrogen bond donor(s) and 7 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 5'-O-Octanoyl AZT?
The CAS number of 5'-O-Octanoyl AZT is 106060-77-9.
What is the molecular formula of 5'-O-Octanoyl AZT?
The molecular formula of 5'-O-Octanoyl AZT is C18H27N5O5.
What is the molecular weight of 5'-O-Octanoyl AZT?
The molecular weight of 5'-O-Octanoyl AZT is 393.20 g/mol.
Where can I buy 5'-O-Octanoyl AZT?
You can request a quote for 5'-O-Octanoyl AZT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-Octanoyl AZT?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-Octanoyl AZT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.