Ancitabine
TL;DR: Ancitabine (CAS 31698-14-3) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Also Known As: Cyclocytidine, Anhydrocytidine, Ancitabina, Ancytabine, Ancitabinum
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 31698-14-3 |
|---|---|
| SMILES | C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N |
| InChIKey | BBDAGFIXKZCXAH-CCXZUQQUSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ancitabine (CAS 31698-14-3), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: (2R,4R,5R,6S)-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 Ancitabine
Property Insights of Ancitabine
The XLogP value of -2.4 indicates that Ancitabine 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 Ancitabine. Following Lipinski's Rule of Five, Ancitabine has 3 hydrogen bond donor(s) and 5 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 Ancitabine?
The CAS number of Ancitabine is 31698-14-3.
What is the molecular formula of Ancitabine?
The molecular formula of Ancitabine is C9H11N3O4.
What is the molecular weight of Ancitabine?
The molecular weight of Ancitabine is 225.07 g/mol.
Where can I buy Ancitabine?
You can request a quote for Ancitabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancitabine?
Yes, KEHONG BIO provides custom synthesis services for Ancitabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.