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CAS 22102-66-5 N-Succinimidyl Decanoate molecular structure lightbox
CAS RN: 22102-66-5

N-Succinimidyl Decanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: ICTD5833
  • Purity/Analytical Methods: >97.0%(GC)
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22102-66-5 / (2,5-dioxopyrrolidin-1-yl) decanoate

Standard CAS: 22102-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22102-66-5
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h2-11H2,1H3
InChIKey
ZHCGDUYHEXICCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
69.79
TPSA
63.68

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.81
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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