托法替尼
TL;DR: 托法替尼 (CAS 477600-75-2) is a chemical compound with molecular formula C3H3NO and molecular weight 69.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托法替尼
3-oxopropanenitrile
Also Known As: 3-oxopropanenitrile, Cyanoacetaldehyde, Tofacitinib, Propanenitrile, 3-oxo-, Formylacetonitrile
| Molecular Formula | C3H3NO |
|---|---|
| Molecular Weight | 69.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 69.02146 |
| Heavy Atoms | 5 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 477600-75-2 |
|---|---|
| SMILES | C(C=O)C#N |
| InChIKey | ZMMOYIXZGHJMNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托法替尼 (CAS 477600-75-2), with molecular formula C3H3NO and molecular weight 69.02 g/mol. IUPAC: 3-oxopropanenitrile.
Chemical Property Profile of 托法替尼
Property Insights of 托法替尼
The XLogP value of -0.4 indicates that 托法替尼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.9 Ų, 托法替尼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 托法替尼 has 0 hydrogen bond donor(s) and 2 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 托法替尼?
The CAS number of 托法替尼 is 477600-75-2.
What is the molecular formula of 托法替尼?
The molecular formula of 托法替尼 is C3H3NO.
What is the molecular weight of 托法替尼?
The molecular weight of 托法替尼 is 69.02 g/mol.
Where can I buy 托法替尼?
You can request a quote for 托法替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托法替尼?
Yes, KEHONG BIO provides custom synthesis services for 托法替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.