Asitribin
TL;DR: Asitribin (CAS 168113-64-2) is a chemical compound with molecular formula C37H66O7 and molecular weight 622.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[13-[5-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Also Known As: Asitribin, isorollinicin, Asiminacin, Squamocin, 4-[13-[5-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C37H66O7 |
|---|---|
| Molecular Weight | 622.48 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 622.48083 |
| Heavy Atoms | 44 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 168113-64-2 |
|---|---|
| SMILES | CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O |
| InChIKey | DAEFUOXKPZLQMM-UHFFFAOYSA-N |
Product Overview
Asitribin (CAS 168113-64-2), with molecular formula C37H66O7 and molecular weight 622.48 g/mol. IUPAC: 4-[13-[5-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Asitribin
Property Insights of Asitribin
The XLogP value of 9.5 indicates that Asitribin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asitribin. Following Lipinski's Rule of Five, Asitribin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asitribin?
The CAS number of Asitribin is 168113-64-2.
What is the molecular formula of Asitribin?
The molecular formula of Asitribin is C37H66O7.
What is the molecular weight of Asitribin?
The molecular weight of Asitribin is 622.48 g/mol.
Where can I buy Asitribin?
You can request a quote for Asitribin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asitribin?
Yes, KEHONG BIO provides custom synthesis services for Asitribin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.