Cathepsin S-IN-1
TL;DR: Cathepsin S-IN-1 (CAS 537706-31-3) is a chemical compound with molecular formula C25H34N4O7S and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]butanamide
Also Known As: Cathepsin S-IN-1, SAR114137-analog, 4-Morpholinebutanamide, alpha-(((2-methylpropyl)sulfonyl)methyl)-gamma-oxo-N-((1S)-1-((5-phenyl-1,2,4-oxadiazol-3-yl)carbonyl)propyl)-, 4-MORPHOLINEBUTANAMIDE, .ALPHA.-(((2-METHYLPROPYL)SULFONYL)METHYL)-.GAMMA.-OXO-N-((1S)-1-((5-PHENYL-1,2,4-OXADIAZOL-3-YL)CARBONYL)PROPYL)-, 2-(2-Methyl-propane-1-sulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(S)-1-(5-phenyl-1,2,4-oxadiazole-3-carbonyl)-propyl]-butyramide
| Molecular Formula | C25H34N4O7S |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 1.75 |
| Topological Polar Surface Area | 148.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.21484 |
| Heavy Atoms | 37 |
| Complexity | 1174.657 |
Chemical Identifiers
| CAS Number | 537706-31-3 |
|---|---|
| SMILES | CC[C@@H](C(=O)C1=NOC(=N1)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC(C)C |
Product Overview
Cathepsin S-IN-1 (CAS 537706-31-3), with molecular formula C25H34N4O7S and molecular weight 534.21 g/mol. IUPAC: 2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]butanamide.
Chemical Property Profile of Cathepsin S-IN-1
Property Insights of Cathepsin S-IN-1
The XLogP value of 1.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cathepsin S-IN-1. The TPSA of 148.77 Ų indicates high polarity, suggesting Cathepsin S-IN-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cathepsin S-IN-1 has 1 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 Cathepsin S-IN-1?
The CAS number of Cathepsin S-IN-1 is 537706-31-3.
What is the molecular formula of Cathepsin S-IN-1?
The molecular formula of Cathepsin S-IN-1 is C25H34N4O7S.
What is the molecular weight of Cathepsin S-IN-1?
The molecular weight of Cathepsin S-IN-1 is 534.21 g/mol.
Where can I buy Cathepsin S-IN-1?
You can request a quote for Cathepsin S-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cathepsin S-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Cathepsin S-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.