RefChem:344491
TL;DR: RefChem:344491 (CAS 281189-83-1) is a chemical compound with molecular formula C17H13F9N2O2S and molecular weight 480.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-(nonafluorobutyl)-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, RefChem:344491
| Molecular Formula | C17H13F9N2O2S |
|---|---|
| Molecular Weight | 480.06 g/mol |
| LogP | 4.4908 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.0554 |
| Heavy Atoms | 31 |
| Complexity | 885.33844 |
Chemical Identifiers
| CAS Number | 281189-83-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
RefChem:344491 (CAS 281189-83-1), with molecular formula C17H13F9N2O2S and molecular weight 480.06 g/mol. IUPAC: ethyl 6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of RefChem:344491
Property Insights of RefChem:344491
The XLogP value of 4.4908 indicates that RefChem:344491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, RefChem:344491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:344491 has 2 hydrogen bond donor(s) and 3 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 RefChem:344491?
The CAS number of RefChem:344491 is 281189-83-1.
What is the molecular formula of RefChem:344491?
The molecular formula of RefChem:344491 is C17H13F9N2O2S.
What is the molecular weight of RefChem:344491?
The molecular weight of RefChem:344491 is 480.06 g/mol.
Where can I buy RefChem:344491?
You can request a quote for RefChem:344491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:344491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:344491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.