[email protected]
CAS 1423017-94-0 Lys-Lys-OH 3TFA molecular structure lightbox
CAS RN: 1423017-94-0

Lys-Lys-OH 3TFA

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1423017-94-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1423017-94-0 / (2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoic acid;tris(2,2,2-trifluoroacetic acid)

Standard CAS: 1423017-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1423017-94-0
Multi CAS
No
Molecular Formula
C18H29F9N4O9
Molecular Weight
616.400000
Exact Mass
616.179082
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C12H26N4O3.3C2HF3O2/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14;3*3-2(4,5)1(6)7/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19);3*(H,6,7)/t9-,10-;;;/m0.../s1
InChIKey
QPQNMAQFDBUWKS-QKEVMJATSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.72
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
8
Molar refractivity
114.43
TPSA
256.36

LogP / Solubility

WLOGP
1.04
MLOGP
0.97
XLogP3
1.04
Consensus LogP
1.02
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us