Flurocitabine
TL;DR: Flurocitabine (CAS 39841-87-7) is a chemical compound with molecular formula C9H10FN3O4 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R)-11-fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Also Known As: Flurocitabine, KST-1A4554, 118381-EP2275420A1, 118381-EP2298764A1, 118381-EP2298765A1
| Molecular Formula | C9H10FN3O4 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.06554 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 39841-87-7 |
|---|---|
| SMILES | C1=C(C(=N)N=C2N1[C@H]3C(O2)[C@@H]([C@H](O3)CO)O)F |
| InChIKey | PAYBYKKERMGTSS-XTSMLKGCSA-N |
Product Overview
Flurocitabine (CAS 39841-87-7), with molecular formula C9H10FN3O4 and molecular weight 243.07 g/mol. IUPAC: (2R,4R,5R)-11-fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol.
Chemical Property Profile of Flurocitabine
Property Insights of Flurocitabine
The XLogP value of -2.1 indicates that Flurocitabine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Flurocitabine. Following Lipinski's Rule of Five, Flurocitabine 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 Flurocitabine?
The CAS number of Flurocitabine is 39841-87-7.
What is the molecular formula of Flurocitabine?
The molecular formula of Flurocitabine is C9H10FN3O4.
What is the molecular weight of Flurocitabine?
The molecular weight of Flurocitabine is 243.07 g/mol.
Where can I buy Flurocitabine?
You can request a quote for Flurocitabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flurocitabine?
Yes, KEHONG BIO provides custom synthesis services for Flurocitabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.