Darunavir impurity 23
TL;DR: Darunavir impurity 23 (CAS 799241-76-2) is a chemical compound with molecular formula C27H35N3O9S and molecular weight 577.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
Also Known As: Darunavir impurity 23, N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]carbamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl Ester, (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-nitrophenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate, (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate, (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-2-hydroxy-3-((2-methylpropyl)((4-nitrophenyl)sulfonyl)amino)-1-(phenylmethyl)propyl)carbamate
| Molecular Formula | C27H35N3O9S |
|---|---|
| Molecular Weight | 577.21 g/mol |
| LogP | 2.7013 |
| Topological Polar Surface Area | 157.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 577.2094 |
| Heavy Atoms | 40 |
| Complexity | 1257.7701 |
Chemical Identifiers
| CAS Number | 799241-76-2 |
|---|---|
| SMILES | CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Darunavir impurity 23 (CAS 799241-76-2), with molecular formula C27H35N3O9S and molecular weight 577.21 g/mol. IUPAC: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of Darunavir impurity 23
Property Insights of Darunavir impurity 23
The XLogP value of 2.7013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Darunavir impurity 23. The TPSA of 157.54 Ų indicates high polarity, suggesting Darunavir impurity 23 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Darunavir impurity 23 has 2 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 Darunavir impurity 23?
The CAS number of Darunavir impurity 23 is 799241-76-2.
What is the molecular formula of Darunavir impurity 23?
The molecular formula of Darunavir impurity 23 is C27H35N3O9S.
What is the molecular weight of Darunavir impurity 23?
The molecular weight of Darunavir impurity 23 is 577.21 g/mol.
Where can I buy Darunavir impurity 23?
You can request a quote for Darunavir impurity 23 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darunavir impurity 23?
Yes, KEHONG BIO provides custom synthesis services for Darunavir impurity 23 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.