Nelfinavir Hydroxy-tert-butylamide
TL;DR: Nelfinavir Hydroxy-tert-butylamide (CAS 213135-56-9) is a chemical compound with molecular formula C32H45N3O5S and molecular weight 583.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-N-(1-hydroxy-2-methylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: Nelfinavir Hydroxy-tert-butylamide, Nelfinavir deriv., (3S,4aS,8aS), AG 1402, (3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-N-(1-hydroxy-2-methylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C32H45N3O5S |
|---|---|
| Molecular Weight | 583.31 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 583.308 |
| Heavy Atoms | 41 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 213135-56-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO)O |
| InChIKey | SLEPDNKZXLVSOH-HKWSIXNMSA-N |
Product Overview
Nelfinavir Hydroxy-tert-butylamide (CAS 213135-56-9), with molecular formula C32H45N3O5S and molecular weight 583.31 g/mol. IUPAC: (3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-N-(1-hydroxy-2-methylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of Nelfinavir Hydroxy-tert-butylamide
Property Insights of Nelfinavir Hydroxy-tert-butylamide
The XLogP value of 4.6 indicates that Nelfinavir Hydroxy-tert-butylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Nelfinavir Hydroxy-tert-butylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nelfinavir Hydroxy-tert-butylamide has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nelfinavir Hydroxy-tert-butylamide?
The CAS number of Nelfinavir Hydroxy-tert-butylamide is 213135-56-9.
What is the molecular formula of Nelfinavir Hydroxy-tert-butylamide?
The molecular formula of Nelfinavir Hydroxy-tert-butylamide is C32H45N3O5S.
What is the molecular weight of Nelfinavir Hydroxy-tert-butylamide?
The molecular weight of Nelfinavir Hydroxy-tert-butylamide is 583.31 g/mol.
Where can I buy Nelfinavir Hydroxy-tert-butylamide?
You can request a quote for Nelfinavir Hydroxy-tert-butylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nelfinavir Hydroxy-tert-butylamide?
Yes, KEHONG BIO provides custom synthesis services for Nelfinavir Hydroxy-tert-butylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.