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CAS 1314378-10-3 Lipoamido-PEG4-acid molecular structure lightbox
CAS RN: 1314378-10-3

Lipoamido-PEG4-acid

  • Product code: SSC-038297
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1314378-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

1314378-10-3 / 3-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1314378-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314378-10-3
Multi CAS
No
Molecular Formula
C19H35NO7S2
Molecular Weight
453.600000
Exact Mass
453.185495
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C19H35NO7S2/c21-18(4-2-1-3-17-6-16-28-29-17)20-7-9-25-11-13-27-15-14-26-12-10-24-8-5-19(22)23/h17H,1-16H2,(H,20,21)(H,22,23)
InChIKey
QJFPDZROPSGMGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
2
Molar refractivity
115.46
TPSA
103.32

LogP / Solubility

WLOGP
2.36
MLOGP
2.11
XLogP3
0.3
Consensus LogP
1.59
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble

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)
-3.81

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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