番荔枝辛
TL;DR: 番荔枝辛 (CAS 111035-65-5) is a chemical compound with molecular formula C35H64O7 and molecular weight 596.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
番荔枝辛
4-[2,8-dihydroxy-12-[[5-(1-hydroxytridecyl)oxolan-2-yl]methoxy]dodecyl]-2-methyl-2H-furan-5-one
Also Known As: Annonacin, 4CN-2619, 4-[2,8-dihydroxy-12-[[5-(1-hydroxytridecyl)oxolan-2-yl]methoxy]dodecyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C35H64O7 |
|---|---|
| Molecular Weight | 596.47 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Exact Mass | 596.4652 |
| Heavy Atoms | 42 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 111035-65-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C1CCC(O1)COCCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O |
| InChIKey | ZIMZEJPHAPPLFM-UHFFFAOYSA-N |
Product Overview
番荔枝辛 (CAS 111035-65-5), with molecular formula C35H64O7 and molecular weight 596.47 g/mol. IUPAC: 4-[2,8-dihydroxy-12-[[5-(1-hydroxytridecyl)oxolan-2-yl]methoxy]dodecyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of 番荔枝辛
Property Insights of 番荔枝辛
The XLogP value of 8.5 indicates that 番荔枝辛 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 番荔枝辛. Following Lipinski's Rule of Five, 番荔枝辛 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 番荔枝辛?
The CAS number of 番荔枝辛 is 111035-65-5.
What is the molecular formula of 番荔枝辛?
The molecular formula of 番荔枝辛 is C35H64O7.
What is the molecular weight of 番荔枝辛?
The molecular weight of 番荔枝辛 is 596.47 g/mol.
Where can I buy 番荔枝辛?
You can request a quote for 番荔枝辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番荔枝辛?
Yes, KEHONG BIO provides custom synthesis services for 番荔枝辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.