2,4-trans-Gigantecinone
TL;DR: 2,4-trans-Gigantecinone (CAS 196090-63-8) 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.
(3S,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
Also Known As: 2,4-trans-Gigantecinone, (3S,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one
| Molecular Formula | C37H66O8 |
|---|---|
| Molecular Weight | 638.48 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 638.47577 |
| Heavy Atoms | 45 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 196090-63-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C1CC[C@@H](O1)[C@@H](CC[C@@H](C2CC[C@H](O2)CCCCC[C@@H]3C[C@H](C(=O)O3)CC(=O)C)O)O)O |
| InChIKey | SIKLPUJCNJTZFZ-LGFHYWAESA-N |
Product Overview
2,4-trans-Gigantecinone (CAS 196090-63-8), with molecular formula C37H66O8 and molecular weight 638.48 g/mol. IUPAC: (3S,5R)-5-[5-[(2R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R)-5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]pentyl]-3-(2-oxopropyl)oxolan-2-one.
Chemical Property Profile of 2,4-trans-Gigantecinone
Property Insights of 2,4-trans-Gigantecinone
The XLogP value of 7.8 indicates that 2,4-trans-Gigantecinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-trans-Gigantecinone. Following Lipinski's Rule of Five, 2,4-trans-Gigantecinone has 3 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 2,4-trans-Gigantecinone?
The CAS number of 2,4-trans-Gigantecinone is 196090-63-8.
What is the molecular formula of 2,4-trans-Gigantecinone?
The molecular formula of 2,4-trans-Gigantecinone is C37H66O8.
What is the molecular weight of 2,4-trans-Gigantecinone?
The molecular weight of 2,4-trans-Gigantecinone is 638.48 g/mol.
Where can I buy 2,4-trans-Gigantecinone?
You can request a quote for 2,4-trans-Gigantecinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-trans-Gigantecinone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-trans-Gigantecinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.