Semagacestat
TL;DR: Semagacestat (CAS 866488-53-1) is a chemical compound with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
Also Known As: Semagacestat, dapt, semagacestatum, Semagacestat?, Semagacestat (LY450139)
| Molecular Formula | C19H27N3O4 |
|---|---|
| Molecular Weight | 361.20 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 98.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.20016 |
| Heavy Atoms | 26 |
| Complexity | 689.11676 |
Chemical Identifiers
| CAS Number | 866488-53-1 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O |
Product Overview
Semagacestat (CAS 866488-53-1), with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol. IUPAC: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide.
Chemical Property Profile of Semagacestat
Property Insights of Semagacestat
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semagacestat. The TPSA of 98.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Semagacestat. Following Lipinski's Rule of Five, Semagacestat has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Semagacestat?
The CAS number of Semagacestat is 866488-53-1.
What is the molecular formula of Semagacestat?
The molecular formula of Semagacestat is C19H27N3O4.
What is the molecular weight of Semagacestat?
The molecular weight of Semagacestat is 361.20 g/mol.
Where can I buy Semagacestat?
You can request a quote for Semagacestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semagacestat?
Yes, KEHONG BIO provides custom synthesis services for Semagacestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.