Clitocine
TL;DR: Clitocine (CAS 105798-74-1) is a chemical compound with molecular formula C9H13N5O6 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Clitocine, starbld0000883, 6-Amino-5-nitro-4-(ribofuranosylamino)pyrimidine, (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol, J1.579.640E
| Molecular Formula | C9H13N5O6 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.08658 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 105798-74-1 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N |
| InChIKey | OHEMBWZZEKCBAS-UUOKFMHZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clitocine (CAS 105798-74-1), with molecular formula C9H13N5O6 and molecular weight 287.09 g/mol. IUPAC: (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Clitocine
Property Insights of Clitocine
The XLogP value of -0.4 indicates that Clitocine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Clitocine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clitocine has 5 hydrogen bond donor(s) and 10 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 Clitocine?
The CAS number of Clitocine is 105798-74-1.
What is the molecular formula of Clitocine?
The molecular formula of Clitocine is C9H13N5O6.
What is the molecular weight of Clitocine?
The molecular weight of Clitocine is 287.09 g/mol.
Where can I buy Clitocine?
You can request a quote for Clitocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clitocine?
Yes, KEHONG BIO provides custom synthesis services for Clitocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.