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CAS 1334172-66-5 (R)-N-(3,6,9,12-Tetraoxatridecyl)-α-lipoamide molecular structure lightbox
CAS RN: 1334172-66-5

(R)-N-(3,6,9,12-Tetraoxatridecyl)-α-lipoamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: ICTT3199
  • Purity/Analytical Methods: >90.0%(HPLC)
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1334172-66-5 / 5-[(3R)-dithiolan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide

Standard CAS: 1334172-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334172-66-5
Multi CAS
No
Molecular Formula
C17H33NO5S2
Molecular Weight
395.600000
Exact Mass
395.180016
SMILES
COCCOCCOCCOCCNC(=O)CCCC[C@@H]1CCSS1
InChI
InChI=1S/C17H33NO5S2/c1-20-9-10-22-13-14-23-12-11-21-8-7-18-17(19)5-3-2-4-16-6-15-24-25-16/h16H,2-15H2,1H3,(H,18,19)/t16-/m1/s1
InChIKey
DVOKZPCLVOHRAR-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
104.26
TPSA
66.02

LogP / Solubility

WLOGP
2.51
MLOGP
2.23
XLogP3
0.8
Consensus LogP
1.85
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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