别嘌醇
TL;DR: 别嘌醇 (CAS 315-30-0) is a chemical compound with molecular formula C20H36O5 and molecular weight 356.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
别嘌醇
tridecyl 2-(hydroxymethyl)-6-oxooxane-3-carboxylate
Also Known As: allopurinol, tridecyl 2-(hydroxymethyl)-6-oxooxane-3-carboxylate, Tridecyl 2-(hydroxymethyl)-6-oxo-oxane-3-carboxylate, tridecyl 2-(hydroxymethyl)-6-oxotetrahydro-2h-pyran-3-carboxylate
| Molecular Formula | C20H36O5 |
|---|---|
| Molecular Weight | 356.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 356.2563 |
| Heavy Atoms | 25 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 315-30-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1CCC(=O)OC1CO |
| InChIKey | ZHKLVTNDBWGJNK-UHFFFAOYSA-N |
Product Overview
别嘌醇 (CAS 315-30-0), with molecular formula C20H36O5 and molecular weight 356.26 g/mol. IUPAC: tridecyl 2-(hydroxymethyl)-6-oxooxane-3-carboxylate.
Chemical Property Profile of 别嘌醇
Property Insights of 别嘌醇
The XLogP value of 5.5 indicates that 别嘌醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 别嘌醇. Following Lipinski's Rule of Five, 别嘌醇 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 别嘌醇?
The CAS number of 别嘌醇 is 315-30-0.
What is the molecular formula of 别嘌醇?
The molecular formula of 别嘌醇 is C20H36O5.
What is the molecular weight of 别嘌醇?
The molecular weight of 别嘌醇 is 356.26 g/mol.
Where can I buy 别嘌醇?
You can request a quote for 别嘌醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 别嘌醇?
Yes, KEHONG BIO provides custom synthesis services for 别嘌醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.