替拉那韦
TL;DR: 替拉那韦 (CAS 174484-41-4) is a chemical compound with molecular formula C31H33F3N2O5S and molecular weight 602.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替拉那韦
N-[3-[(1S)-1-[(6R)-2,4-dioxo-6-(2-phenylethyl)-6-propyloxan-3-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
Also Known As: 3spk, BRD-A10039652-001-01-2, 2-Pyridinesulfonamide, N-[3-[(1R)-1-[(6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-, N-{3-[(1S)-1-[(6R)-2,4-dioxo-6-(2-phenylethyl)-6-propyloxan-3-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
| Molecular Formula | C31H33F3N2O5S |
|---|---|
| Molecular Weight | 602.21 g/mol |
| LogP | 6.6987 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 602.20624 |
| Heavy Atoms | 42 |
| Complexity | 1491.5256 |
Chemical Identifiers
| CAS Number | 174484-41-4 |
|---|---|
| SMILES | CCC[C@]1(CC(=O)C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4 |
Product Overview
替拉那韦 (CAS 174484-41-4), with molecular formula C31H33F3N2O5S and molecular weight 602.21 g/mol. IUPAC: N-[3-[(1S)-1-[(6R)-2,4-dioxo-6-(2-phenylethyl)-6-propyloxan-3-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
Chemical Property Profile of 替拉那韦
Property Insights of 替拉那韦
The XLogP value of 6.6987 indicates that 替拉那韦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 替拉那韦. Following Lipinski's Rule of Five, 替拉那韦 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 替拉那韦?
The CAS number of 替拉那韦 is 174484-41-4.
What is the molecular formula of 替拉那韦?
The molecular formula of 替拉那韦 is C31H33F3N2O5S.
What is the molecular weight of 替拉那韦?
The molecular weight of 替拉那韦 is 602.21 g/mol.
Where can I buy 替拉那韦?
You can request a quote for 替拉那韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替拉那韦?
Yes, KEHONG BIO provides custom synthesis services for 替拉那韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.