[email protected]
CAS 157974-36-2 N6-[2-(2-Furanyl)-2-oxoethyl]-L-lysine dihydrochloride molecular structure lightbox
CAS RN: 157974-36-2

N6-[2-(2-Furanyl)-2-oxoethyl]-L-lysine dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS157974-36-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

157974-36-2 / (2S)-2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]hexanoic acid;dihydrochloride

Standard CAS: 157974-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157974-36-2
Multi CAS
No
Molecular Formula
C12H20Cl2N2O4
Molecular Weight
327.200000
Exact Mass
326.080013
SMILES
C1=COC(=C1)C(=O)CNCCCC[C@@H](C(=O)O)N.Cl.Cl
InChI
InChI=1S/C12H18N2O4.2ClH/c13-9(12(16)17)4-1-2-6-14-8-10(15)11-5-3-7-18-11;;/h3,5,7,9,14H,1-2,4,6,8,13H2,(H,16,17);2*1H/t9-;;/m0../s1
InChIKey
HRTZJJIVKJREPV-WWPIYYJJSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.87
TPSA
105.56

LogP / Solubility

WLOGP
1.48
MLOGP
1.32
XLogP3
1.48
Consensus LogP
1.43
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us