4-Deoxygigantecin
TL;DR: 4-Deoxygigantecin (CAS 143572-82-1) 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.
(2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
Also Known As: 4-deoxygigantecin, ( )-4-Deoxygigantecin, (+)-4-Deoxygigantecin, (2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one, (5S)-3-(7-{(5S)-5-[(4R)-1,4-Dihydroxy-4-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl}butyl]oxolan-2-yl}heptyl)-5-methylfuran-2(5H)-one
| Molecular Formula | C37H66O7 |
|---|---|
| Molecular Weight | 622.48 g/mol |
| LogP | 9.7 |
| 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 | 143572-82-1 |
|---|---|
| SMILES | CCCCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@@H](CCC([C@@H]2CCC(O2)CCCCCCCC3=C[C@@H](OC3=O)C)O)O)O |
| InChIKey | AUIKUKHBIJHVLQ-KBHKRYQBSA-N |
Product Overview
4-Deoxygigantecin (CAS 143572-82-1), with molecular formula C37H66O7 and molecular weight 622.48 g/mol. IUPAC: (2S)-4-[7-[(5S)-5-[(4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one.
Chemical Property Profile of 4-Deoxygigantecin
Property Insights of 4-Deoxygigantecin
The XLogP value of 9.7 indicates that 4-Deoxygigantecin 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 4-Deoxygigantecin. Following Lipinski's Rule of Five, 4-Deoxygigantecin 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 4-Deoxygigantecin?
The CAS number of 4-Deoxygigantecin is 143572-82-1.
What is the molecular formula of 4-Deoxygigantecin?
The molecular formula of 4-Deoxygigantecin is C37H66O7.
What is the molecular weight of 4-Deoxygigantecin?
The molecular weight of 4-Deoxygigantecin is 622.48 g/mol.
Where can I buy 4-Deoxygigantecin?
You can request a quote for 4-Deoxygigantecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Deoxygigantecin?
Yes, KEHONG BIO provides custom synthesis services for 4-Deoxygigantecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.