Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,
TL;DR: Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, (CAS 201402-98-4) is a chemical compound with molecular formula C31H45N3O4S and molecular weight 555.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;benzoic acid
Also Known As: Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,
| Molecular Formula | C31H45N3O4S |
|---|---|
| Molecular Weight | 555.31 g/mol |
| LogP | 4.6471 |
| Topological Polar Surface Area | 115.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 555.31305 |
| Heavy Atoms | 39 |
| Complexity | 1031.1345 |
Chemical Identifiers
| CAS Number | 201402-98-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSC3=CC=CC=C3)N)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, (CAS 201402-98-4), with molecular formula C31H45N3O4S and molecular weight 555.31 g/mol. IUPAC: (3S,4aS,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;benzoic acid.
Chemical Property Profile of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,
Property Insights of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,
The XLogP value of 4.6471 indicates that Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,. Following Lipinski's Rule of Five, Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,?
The CAS number of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, is 201402-98-4.
What is the molecular formula of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,?
The molecular formula of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, is C31H45N3O4S.
What is the molecular weight of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,?
The molecular weight of Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, is 555.31 g/mol.
Where can I buy Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,?
You can request a quote for Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate,?
Yes, KEHONG BIO provides custom synthesis services for Decahydro-3soquinolineCarboxamideMonoBenzoate,NelfinavirMesylate, and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.