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CAS 1334172-71-2 Lipoamido-dPEG(R)12-acid molecular structure lightbox
CAS RN: 1334172-71-2

Lipoamido-dPEG(R)12-acid

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1334172-71-2
  • Purity/Analytical Methods: >99.0%
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1334172-71-2 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1334172-71-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1334172-71-2
Multi CAS
No
Molecular Formula
C35H67NO15S2
Molecular Weight
806.000000
Exact Mass
805.395213
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C59H115NO27S2/c61-58(4-2-1-3-57-6-56-88-89-57)60-7-9-65-11-13-67-15-17-69-19-21-71-23-25-73-27-29-75-31-33-77-35-37-79-39-41-81-43-45-83-47-49-85-51-53-87-55-54-86-52-50-84-48-46-82-44-42-80-40-38-78-36-34-76-32-30-74-28-26-72-24-22-70-20-18-68-16-14-66-12-10-64-8-5-59(62)63/h57H,1-56H2,(H,60,61)(H,62,63)
InChIKey
CRJHQOQXILZJMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.94
Rotatable bonds
44
H-bond acceptors
16
H-bond donors
2
Molar refractivity
202.01
TPSA
177.16

LogP / Solubility

WLOGP
2.49
MLOGP
2.26
XLogP3
-0.8
Consensus LogP
1.32
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-5.87

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
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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