Gemcitabine Hydrochloride
TL;DR: Gemcitabine Hydrochloride (CAS 122111-03-9) is a chemical compound with molecular formula C9H12ClF2N3O4 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
Also Known As: GEMCITABINE HYDROCHLORIDE, Gemcitabine HCl, Gemzar, gemcitabine, Gemcitabine HCI
| Molecular Formula | C9H12ClF2N3O4 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.04843 |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 122111-03-9 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl |
| InChIKey | OKKDEIYWILRZIA-OSZBKLCCSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gemcitabine Hydrochloride (CAS 122111-03-9), with molecular formula C9H12ClF2N3O4 and molecular weight 299.05 g/mol. IUPAC: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride.
Chemical Property Profile of Gemcitabine Hydrochloride
Property Insights of Gemcitabine Hydrochloride
The XLogP value of -0.87 indicates that Gemcitabine Hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gemcitabine Hydrochloride. Following Lipinski's Rule of Five, Gemcitabine Hydrochloride has 4 hydrogen bond donor(s) and 6 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 Hydrochloride?
The CAS number of Gemcitabine Hydrochloride is 122111-03-9.
What is the molecular formula of Gemcitabine Hydrochloride?
The molecular formula of Gemcitabine Hydrochloride is C9H12ClF2N3O4.
What is the molecular weight of Gemcitabine Hydrochloride?
The molecular weight of Gemcitabine Hydrochloride is 299.05 g/mol.
Where can I buy Gemcitabine Hydrochloride?
You can request a quote for Gemcitabine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemcitabine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Gemcitabine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.