Sch 59884
TL;DR: Sch 59884 (CAS 200346-83-4) is a chemical compound with molecular formula C41H49F2N8O9P and molecular weight 866.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoate
Also Known As: Sch 59884, J1.659.071A, [(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoate, (4-{[(2S,3S)-3-(4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-yl]oxy}-4-oxobutoxy)phosphonic acid, 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{5-oxo-1-[(2S,3S)-2-{[4-(phosphonooxy)butanoyl]oxy}pentan-3-yl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
| Molecular Formula | C41H49F2N8O9P |
|---|---|
| Molecular Weight | 866.33 g/mol |
| LogP | 5.0136 |
| Topological Polar Surface Area | 188.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 866.3328 |
| Heavy Atoms | 61 |
| Complexity | 2334.159 |
Chemical Identifiers
| CAS Number | 200346-83-4 |
|---|---|
| SMILES | CC[C@@H]([C@H](C)OC(=O)CCCOP(=O)(O)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F |
Product Overview
Sch 59884 (CAS 200346-83-4), with molecular formula C41H49F2N8O9P and molecular weight 866.33 g/mol. IUPAC: [(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoate.
Chemical Property Profile of Sch 59884
Property Insights of Sch 59884
The XLogP value of 5.0136 indicates that Sch 59884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.53 Ų indicates high polarity, suggesting Sch 59884 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sch 59884 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sch 59884?
The CAS number of Sch 59884 is 200346-83-4.
What is the molecular formula of Sch 59884?
The molecular formula of Sch 59884 is C41H49F2N8O9P.
What is the molecular weight of Sch 59884?
The molecular weight of Sch 59884 is 866.33 g/mol.
Where can I buy Sch 59884?
You can request a quote for Sch 59884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 59884?
Yes, KEHONG BIO provides custom synthesis services for Sch 59884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.