RefChem:401488
TL;DR: RefChem:401488 (CAS 160231-69-6) is a chemical compound with molecular formula C25H33N3O8S and molecular weight 535.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
Also Known As: [(1S,2R)-3-[[(4-Nitrophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-phenylmethyl)propyl]carbamic Acid, (3S)-Tetrahydro-3-furanyl Ester, J2.018.762J, I14-14144, [(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate, (3S)-Tetrahydro-3-furanyl N-((1S,2R)-2-hydroxy-3-((2-methylpropyl)((4-nitrophenyl)sulfonyl)amino)-1-(phenylmethyl)propyl)carbamate
| Molecular Formula | C25H33N3O8S |
|---|---|
| Molecular Weight | 535.20 g/mol |
| LogP | 2.7288 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 535.19885 |
| Heavy Atoms | 37 |
| Complexity | 1136.2866 |
Chemical Identifiers
| CAS Number | 160231-69-6 |
|---|---|
| SMILES | CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:401488 (CAS 160231-69-6), with molecular formula C25H33N3O8S and molecular weight 535.20 g/mol. IUPAC: [(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of RefChem:401488
Property Insights of RefChem:401488
The XLogP value of 2.7288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:401488. The TPSA of 148.31 Ų indicates high polarity, suggesting RefChem:401488 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:401488 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401488?
The CAS number of RefChem:401488 is 160231-69-6.
What is the molecular formula of RefChem:401488?
The molecular formula of RefChem:401488 is C25H33N3O8S.
What is the molecular weight of RefChem:401488?
The molecular weight of RefChem:401488 is 535.20 g/mol.
Where can I buy RefChem:401488?
You can request a quote for RefChem:401488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401488?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.