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CAS 941689-36-7 Nα,Nα-Bis(carboxyMethyl)-L-lysine hydrate molecular structure lightbox
CAS RN: 941689-36-7

Nα,Nα-Bis(carboxyMethyl)-L-lysine hydrate

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS941689-36-7
  • Purity/Analytical Methods: >99.0%
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941689-36-7 / 6-amino-2-[bis(carboxymethyl)amino]hexanoic acid;hydrate

Standard CAS: 941689-36-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
941689-36-7
Multi CAS
Yes
Molecular Formula
C10H20N2O7
Molecular Weight
280.280000
Exact Mass
280.127051
InChI
InChI=1S/C10H18N2O6.H2O/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16;/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18);1H2
InChIKey
WTVPNZLAZFGAFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.7
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
64.79
TPSA
172.66

LogP / Solubility

WLOGP
-1.78
MLOGP
-1.56
XLogP3
-1.78
Consensus LogP
-1.71
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.7

Drug-likeness / Medicinal Chemistry

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

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