Rollitacin
TL;DR: Rollitacin (CAS 187523-67-7) is a chemical compound with molecular formula C37H66O8 and molecular weight 638.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[13-hydroxy-13-[5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Also Known As: Rollitacin, 4-[13-hydroxy-13-[5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one, 3-(13-hydroxy-13-{5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-2,5-dihydrofuran-2-one
| Molecular Formula | C37H66O8 |
|---|---|
| Molecular Weight | 638.48 g/mol |
| LogP | 6.8287 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 638.47577 |
| Heavy Atoms | 45 |
| Complexity | 833.23956 |
Chemical Identifiers
| CAS Number | 187523-67-7 |
|---|---|
| SMILES | CCCCCC(C(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O |
Product Overview
Rollitacin (CAS 187523-67-7), with molecular formula C37H66O8 and molecular weight 638.48 g/mol. IUPAC: 4-[13-hydroxy-13-[5-[5-(1,5,6-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of Rollitacin
Property Insights of Rollitacin
The XLogP value of 6.8287 indicates that Rollitacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Rollitacin. Following Lipinski's Rule of Five, Rollitacin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rollitacin?
The CAS number of Rollitacin is 187523-67-7.
What is the molecular formula of Rollitacin?
The molecular formula of Rollitacin is C37H66O8.
What is the molecular weight of Rollitacin?
The molecular weight of Rollitacin is 638.48 g/mol.
Where can I buy Rollitacin?
You can request a quote for Rollitacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rollitacin?
Yes, KEHONG BIO provides custom synthesis services for Rollitacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.