10N-803
TL;DR: 10N-803 (CAS 477846-23-4) is a chemical compound with molecular formula C11H7F3N4O2 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-1H-pyrrol-2-ylidene]propanedinitrile
Also Known As: 10N-803, 2-[3-cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-1,5-dihydro-2H-pyrrol-2-yliden]malononitrile, 2-[3-cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-1H-pyrrol-2-ylidene]propanedinitrile, 2-(3-Cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-1,5-dihydro-2H-pyrrol-2-ylidene)malononitrile, 2-[3-cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-2,5-dihydro-1H-pyrrol-2-ylidene]propanedinitrile
| Molecular Formula | C11H7F3N4O2 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 0.95594 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05212 |
| Heavy Atoms | 20 |
| Complexity | 599.5404 |
Chemical Identifiers
| CAS Number | 477846-23-4 |
|---|---|
| SMILES | CCOC1=C(C(=C(C#N)C#N)NC1(C(F)(F)F)O)C#N |
Product Overview
10N-803 (CAS 477846-23-4), with molecular formula C11H7F3N4O2 and molecular weight 284.05 g/mol. IUPAC: 2-[3-cyano-4-ethoxy-5-hydroxy-5-(trifluoromethyl)-1H-pyrrol-2-ylidene]propanedinitrile.
Chemical Property Profile of 10N-803
Property Insights of 10N-803
The XLogP value of 0.95594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10N-803. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 10N-803. Following Lipinski's Rule of Five, 10N-803 has 2 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 10N-803?
The CAS number of 10N-803 is 477846-23-4.
What is the molecular formula of 10N-803?
The molecular formula of 10N-803 is C11H7F3N4O2.
What is the molecular weight of 10N-803?
The molecular weight of 10N-803 is 284.05 g/mol.
Where can I buy 10N-803?
You can request a quote for 10N-803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10N-803?
Yes, KEHONG BIO provides custom synthesis services for 10N-803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.