SCH 49999
TL;DR: SCH 49999 (CAS 160709-03-5) is a chemical compound with molecular formula C36H40F2N8O3 and molecular weight 670.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: SCH 49999, 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1,5-dihydro-1-[(1R)-1-methylpropyl]-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
| Molecular Formula | C36H40F2N8O3 |
|---|---|
| Molecular Weight | 670.32 g/mol |
| LogP | 5.2123 |
| Topological Polar Surface Area | 95.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 670.31915 |
| Heavy Atoms | 49 |
| Complexity | 1903.9724 |
Chemical Identifiers
| CAS Number | 160709-03-5 |
|---|---|
| SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F |
Product Overview
SCH 49999 (CAS 160709-03-5), with molecular formula C36H40F2N8O3 and molecular weight 670.32 g/mol. IUPAC: 2-butan-2-yl-4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of SCH 49999
Property Insights of SCH 49999
The XLogP value of 5.2123 indicates that SCH 49999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.47 Ų falls within the moderate polarity range, balancing permeability and solubility for SCH 49999. Following Lipinski's Rule of Five, SCH 49999 has 0 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 SCH 49999?
The CAS number of SCH 49999 is 160709-03-5.
What is the molecular formula of SCH 49999?
The molecular formula of SCH 49999 is C36H40F2N8O3.
What is the molecular weight of SCH 49999?
The molecular weight of SCH 49999 is 670.32 g/mol.
Where can I buy SCH 49999?
You can request a quote for SCH 49999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SCH 49999?
Yes, KEHONG BIO provides custom synthesis services for SCH 49999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.