Droxinavir hydrochloride
TL;DR: Droxinavir hydrochloride (CAS 155662-50-3) is a chemical compound with molecular formula C29H52ClN5O4 and molecular weight 569.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
Also Known As: Droxinavir hydrochloride, (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide hydrochloride, (2R)-N-[(2R,3S)-4-{[(tert-Butylimino)(hydroxy)methyl](3-methylbutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}-3,3-dimethylbutanimidic acid--hydrogen chloride (1/1), N-(4-{[(tert-Butylimino)(hydroxy)methyl](3-methylbutyl)amino}-3-hydroxy-1-phenylbutan-2-yl)-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}-3,3-dimethylbutanimidic acid--hydrogen chloride (1/1), n-methylglycyl-n-{(2r,3s)-4-[(tert-butylcarbamoyl)(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-methyl-d-valinamide hydrochloride(1:1)
| Molecular Formula | C29H52ClN5O4 |
|---|---|
| Molecular Weight | 569.37 g/mol |
| LogP | 3.1031 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 569.3708 |
| Heavy Atoms | 39 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 155662-50-3 |
|---|---|
| SMILES | CC(C)CCN(C[C@@H]([C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C(C)(C)C)NC(=O)CNC)O)C(=O)NC(C)(C)C.Cl |
| InChIKey | IYKXRORSPVZSHP-WZADYDTGSA-N |
Product Overview
Droxinavir hydrochloride (CAS 155662-50-3), with molecular formula C29H52ClN5O4 and molecular weight 569.37 g/mol. IUPAC: (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride.
Chemical Property Profile of Droxinavir hydrochloride
Property Insights of Droxinavir hydrochloride
The XLogP value of 3.1031 indicates that Droxinavir hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Droxinavir hydrochloride. Following Lipinski's Rule of Five, Droxinavir hydrochloride has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Droxinavir hydrochloride?
The CAS number of Droxinavir hydrochloride is 155662-50-3.
What is the molecular formula of Droxinavir hydrochloride?
The molecular formula of Droxinavir hydrochloride is C29H52ClN5O4.
What is the molecular weight of Droxinavir hydrochloride?
The molecular weight of Droxinavir hydrochloride is 569.37 g/mol.
Where can I buy Droxinavir hydrochloride?
You can request a quote for Droxinavir hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Droxinavir hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Droxinavir hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.