Purpureacin 2
TL;DR: Purpureacin 2 (CAS 149990-60-3) 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.
2-methyl-4-[2,10,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Also Known As: Purpureacin 2, Purpreacin 2, 12-Hydroxybullatacin, J2.429.259B, 2(5H)-Furanone, 5-methyl-3-[2,10,13-trihydroxy-13-[octahydro-5a(2)-(1-hydroxyundecyl)[2,2a(2)-bifuran]-5-yl]tridecyl]-
| 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 | 149990-60-3 |
|---|---|
| SMILES | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O |
Product Overview
Purpureacin 2 (CAS 149990-60-3), with molecular formula C37H66O8 and molecular weight 638.48 g/mol. IUPAC: 2-methyl-4-[2,10,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one.
Chemical Property Profile of Purpureacin 2
Property Insights of Purpureacin 2
The XLogP value of 6.8287 indicates that Purpureacin 2 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 Purpureacin 2. Following Lipinski's Rule of Five, Purpureacin 2 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 Purpureacin 2?
The CAS number of Purpureacin 2 is 149990-60-3.
What is the molecular formula of Purpureacin 2?
The molecular formula of Purpureacin 2 is C37H66O8.
What is the molecular weight of Purpureacin 2?
The molecular weight of Purpureacin 2 is 638.48 g/mol.
Where can I buy Purpureacin 2?
You can request a quote for Purpureacin 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpureacin 2?
Yes, KEHONG BIO provides custom synthesis services for Purpureacin 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.