1-Fluoro gla-60
TL;DR: 1-Fluoro gla-60 (CAS 138527-40-9) is a chemical compound with molecular formula C48H91FNO12P and molecular weight 923.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5S,6R)-2-fluoro-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxyoxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate
Also Known As: 1-Fluoro gla-60, [(2R,3R,4R,5S,6R)-2-fluoro-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxyoxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate, 2-Deoxy-2-((3R)-3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranosyl fluoride 4-(dihydrogen phosphate), 2-Deoxy-2-[(1,3-dihydroxytetradecylidene)amino]-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-alpha-D-glucopyranosyl fluoride, 2-Deoxy-2-[(1,3-dihydroxytetradecylidene)amino]-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl fluoride
| Molecular Formula | C48H91FNO12P |
|---|---|
| Molecular Weight | 923.63 g/mol |
| LogP | 14.5 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 44 |
| Exact Mass | 923.6263 |
| Heavy Atoms | 63 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 138527-40-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)F)NC(=O)CC(CCCCCCCCCCC)O |
| InChIKey | DMSHXHBPCDSLRB-BCMHDZJLSA-N |
Product Overview
1-Fluoro gla-60 (CAS 138527-40-9), with molecular formula C48H91FNO12P and molecular weight 923.63 g/mol. IUPAC: [(2R,3R,4R,5S,6R)-2-fluoro-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxyoxan-4-yl] (3R)-3-tetradecanoyloxytetradecanoate.
Chemical Property Profile of 1-Fluoro gla-60
Property Insights of 1-Fluoro gla-60
The XLogP value of 14.5 indicates that 1-Fluoro gla-60 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting 1-Fluoro gla-60 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Fluoro gla-60 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Fluoro gla-60?
The CAS number of 1-Fluoro gla-60 is 138527-40-9.
What is the molecular formula of 1-Fluoro gla-60?
The molecular formula of 1-Fluoro gla-60 is C48H91FNO12P.
What is the molecular weight of 1-Fluoro gla-60?
The molecular weight of 1-Fluoro gla-60 is 923.63 g/mol.
Where can I buy 1-Fluoro gla-60?
You can request a quote for 1-Fluoro gla-60 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro gla-60?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro gla-60 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.