FR 158999
TL;DR: FR 158999 (CAS 160138-41-0) is a chemical compound with molecular formula C24H35N5O8S and molecular weight 553.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Also Known As: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid, 4-[4-(4-Amidinophenoxy)butyryl-L-aspartyl-L-valyl]thiomorpholine S,S-dioxide, (S)-3-(4-(4-carbamimidoylphenoxy)butanamido)-4-(((S)-1-(1,1-dioxidothiomorpholino)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutanoic acid, Butanoic acid, 3-((4-(4-(aminoiminomethyl)phenoxy)-1-oxobutyl)amino)-4-(((1S)-1-((1,1-dioxido-4-thiomorpholinyl)carbonyl)-2-methylpropyl)amino)-4-oxo-, (3S)-, Butanoic acid, 3-((4-(4-(aminoiminomethyl)phenoxy)-1-oxobutyl)amino)-4-((2-methyl-1-(4-thiomorpholinylcarbonyl)propyl)amino)-4-oxo-, S,S-dioxide, (S-(R*,R*))-
| Molecular Formula | C24H35N5O8S |
|---|---|
| Molecular Weight | 553.22 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 553.22064 |
| Heavy Atoms | 38 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 160138-41-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCS(=O)(=O)CC1)NC(=O)[C@H](CC(=O)O)NC(=O)CCCOC2=CC=C(C=C2)C(=N)N |
| InChIKey | FPOQHPVEVPIFME-RXVVDRJESA-N |
Product Overview
FR 158999 (CAS 160138-41-0), with molecular formula C24H35N5O8S and molecular weight 553.22 g/mol. IUPAC: (3S)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-[[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of FR 158999
Property Insights of FR 158999
The XLogP value of -0.6 indicates that FR 158999 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting FR 158999 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 158999 has 5 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 FR 158999?
The CAS number of FR 158999 is 160138-41-0.
What is the molecular formula of FR 158999?
The molecular formula of FR 158999 is C24H35N5O8S.
What is the molecular weight of FR 158999?
The molecular weight of FR 158999 is 553.22 g/mol.
Where can I buy FR 158999?
You can request a quote for FR 158999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 158999?
Yes, KEHONG BIO provides custom synthesis services for FR 158999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.