吉西他滨
TL;DR: 吉西他滨 (CAS 95058-81-4) is a chemical compound with molecular formula C9H11F2N3O4 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吉西他滨
4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: gemcitabine, Gemctitabine, Gemzar, Gemcitabine HCl, Gemcitabine free base
| Molecular Formula | C9H11F2N3O4 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07178 |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 95058-81-4 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F |
| InChIKey | SDUQYLNIPVEERB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吉西他滨 (CAS 95058-81-4), with molecular formula C9H11F2N3O4 and molecular weight 263.07 g/mol. IUPAC: 4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 吉西他滨
Property Insights of 吉西他滨
The XLogP value of -1.5 indicates that 吉西他滨 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 吉西他滨. Following Lipinski's Rule of Five, 吉西他滨 has 3 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 吉西他滨?
The CAS number of 吉西他滨 is 95058-81-4.
What is the molecular formula of 吉西他滨?
The molecular formula of 吉西他滨 is C9H11F2N3O4.
What is the molecular weight of 吉西他滨?
The molecular weight of 吉西他滨 is 263.07 g/mol.
Where can I buy 吉西他滨?
You can request a quote for 吉西他滨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吉西他滨?
Yes, KEHONG BIO provides custom synthesis services for 吉西他滨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.