2-Desisopropyl-2-ethyl ritonavir
TL;DR: 2-Desisopropyl-2-ethyl ritonavir (CAS 30777-81-2) is a chemical compound with molecular formula C36H46N6O5S2 and molecular weight 706.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Also Known As: 2-Desisopropyl-2-ethyl Ritonavir, Ritonavir EP Impurity I, Ritonavir USP Impurity F, RITONAVIR IMPURITY I [EP IMPURITY], RITONAVIR IMPURITY I (EP IMPURITY)
| Molecular Formula | C36H46N6O5S2 |
|---|---|
| Molecular Weight | 706.30 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 706.2971 |
| Heavy Atoms | 49 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 30777-81-2 |
|---|---|
| SMILES | CCC1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| InChIKey | OYEPOHCIXAAUDI-UDRKEFQJSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Desisopropyl-2-ethyl ritonavir (CAS 30777-81-2), with molecular formula C36H46N6O5S2 and molecular weight 706.30 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of 2-Desisopropyl-2-ethyl ritonavir
Property Insights of 2-Desisopropyl-2-ethyl ritonavir
The XLogP value of 5.7 indicates that 2-Desisopropyl-2-ethyl ritonavir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting 2-Desisopropyl-2-ethyl ritonavir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Desisopropyl-2-ethyl ritonavir has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Desisopropyl-2-ethyl ritonavir?
The CAS number of 2-Desisopropyl-2-ethyl ritonavir is 30777-81-2.
What is the molecular formula of 2-Desisopropyl-2-ethyl ritonavir?
The molecular formula of 2-Desisopropyl-2-ethyl ritonavir is C36H46N6O5S2.
What is the molecular weight of 2-Desisopropyl-2-ethyl ritonavir?
The molecular weight of 2-Desisopropyl-2-ethyl ritonavir is 706.30 g/mol.
Where can I buy 2-Desisopropyl-2-ethyl ritonavir?
You can request a quote for 2-Desisopropyl-2-ethyl ritonavir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Desisopropyl-2-ethyl ritonavir?
Yes, KEHONG BIO provides custom synthesis services for 2-Desisopropyl-2-ethyl ritonavir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.