Gemcitabine impurity 1
TL;DR: Gemcitabine impurity 1 (CAS 134877-43-3) is a chemical compound with molecular formula C20H18F2O8S and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Also Known As: Gemcitabine impurity 1, ((2R,3R,5R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate, 3,5-bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose, I06-1577, ((2R3R5R)-3-(Benzoyloxy)-44-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
| Molecular Formula | C20H18F2O8S |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 2.4054 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.06903 |
| Heavy Atoms | 31 |
| Complexity | 1027.66 |
Chemical Identifiers
| CAS Number | 134877-43-3 |
|---|---|
| SMILES | CS(=O)(=O)O[C@@H]1C([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(F)F |
Product Overview
Gemcitabine impurity 1 (CAS 134877-43-3), with molecular formula C20H18F2O8S and molecular weight 456.07 g/mol. IUPAC: [(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-methylsulfonyloxyoxolan-2-yl]methyl benzoate.
Chemical Property Profile of Gemcitabine impurity 1
Property Insights of Gemcitabine impurity 1
The XLogP value of 2.4054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gemcitabine impurity 1. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Gemcitabine impurity 1. Following Lipinski's Rule of Five, Gemcitabine impurity 1 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gemcitabine impurity 1?
The CAS number of Gemcitabine impurity 1 is 134877-43-3.
What is the molecular formula of Gemcitabine impurity 1?
The molecular formula of Gemcitabine impurity 1 is C20H18F2O8S.
What is the molecular weight of Gemcitabine impurity 1?
The molecular weight of Gemcitabine impurity 1 is 456.07 g/mol.
Where can I buy Gemcitabine impurity 1?
You can request a quote for Gemcitabine impurity 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemcitabine impurity 1?
Yes, KEHONG BIO provides custom synthesis services for Gemcitabine impurity 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.