Ritonavir Impurity 55
TL;DR: Ritonavir Impurity 55 (CAS 1177797-84-0) is a chemical compound with molecular formula C37H48N6O5S2 and molecular weight 720.31 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)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Also Known As: Ritonavir Impurity 55, Ritonavir diastereoisomer, A-117673, (2R)-N-{(1S,3S,4S)-3-Hydroxy-5-phenyl-1-benzyl-4-[(1,3-thiazol-5-ylmethoxy)carbonylamino]pentyl}-3-methyl-2-[(methyl{[2-(methylethyl)(1,3-thiazol-5-yl)]methyl}amino)carbonylamino]butanamide, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
| Molecular Formula | C37H48N6O5S2 |
|---|---|
| Molecular Weight | 720.31 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 720.31274 |
| Heavy Atoms | 50 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 1177797-84-0 |
|---|---|
| SMILES | CC(C)C1=NC=C(S1)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 | KEYOBHMPMXLMPH-OOUBJREFSA-N |
Product Overview
Ritonavir Impurity 55 (CAS 1177797-84-0), with molecular formula C37H48N6O5S2 and molecular weight 720.31 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of Ritonavir Impurity 55
Property Insights of Ritonavir Impurity 55
The XLogP value of 6.0 indicates that Ritonavir Impurity 55 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting Ritonavir Impurity 55 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ritonavir Impurity 55 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 Ritonavir Impurity 55?
The CAS number of Ritonavir Impurity 55 is 1177797-84-0.
What is the molecular formula of Ritonavir Impurity 55?
The molecular formula of Ritonavir Impurity 55 is C37H48N6O5S2.
What is the molecular weight of Ritonavir Impurity 55?
The molecular weight of Ritonavir Impurity 55 is 720.31 g/mol.
Where can I buy Ritonavir Impurity 55?
You can request a quote for Ritonavir Impurity 55 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ritonavir Impurity 55?
Yes, KEHONG BIO provides custom synthesis services for Ritonavir Impurity 55 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.