脫氧胞苷
TL;DR: 脫氧胞苷 (CAS 951-77-9) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脫氧胞苷
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 2'-deoxycytidine, Torcitabine, deoxycytidine, Desoxycytidine, Cytosine deoxyriboside
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
| Solubility | >34.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 951-77-9 |
|---|---|
| SMILES | C1C(C(OC1N2C=CC(=NC2=O)N)CO)O |
| InChIKey | CKTSBUTUHBMZGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脫氧胞苷 (CAS 951-77-9), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 脫氧胞苷
Property Insights of 脫氧胞苷
The XLogP value of -1.8 indicates that 脫氧胞苷 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 脫氧胞苷. Following Lipinski's Rule of Five, 脫氧胞苷 has 3 hydrogen bond donor(s) and 4 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 脫氧胞苷?
The CAS number of 脫氧胞苷 is 951-77-9.
What is the molecular formula of 脫氧胞苷?
The molecular formula of 脫氧胞苷 is C9H13N3O4.
What is the molecular weight of 脫氧胞苷?
The molecular weight of 脫氧胞苷 is 227.09 g/mol.
Where can I buy 脫氧胞苷?
You can request a quote for 脫氧胞苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脫氧胞苷?
Yes, KEHONG BIO provides custom synthesis services for 脫氧胞苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.