CAS RN: 1032347-93-5
Thio-PEG12-acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1032347-93-5
- Purity/Analytical Methods: >99.0%
1032347-93-5 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Carboxy-PEG12-C2-Thiol | RefChem:574603 | 836-100-3
Basic Information
CAS
1032347-93-5
Multi CAS
Yes
Molecular Formula
C27H54O14S
Molecular Weight
634.800000
Exact Mass
634.323428
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS)C(=O)O
InChI
InChI=1S/C27H54O14S/c28-27(29)1-2-30-3-4-31-5-6-32-7-8-33-9-10-34-11-12-35-13-14-36-15-16-37-17-18-38-19-20-39-21-22-40-23-24-41-25-26-42/h42H,1-26H2,(H,28,29)
InChIKey
JUDURFKNRMLTLG-UHFFFAOYSA-N
Synonyms
Carboxy-PEG12-C2-Thiol
RefChem:574603
836-100-3
Thiol-PEG12-acid
Thio-PEG12-acid
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.96
Rotatable bonds
38
H-bond acceptors
14
H-bond donors
2
Molar refractivity
155.93
TPSA
148.06
LogP / Solubility
WLOGP
0.59
MLOGP
0.57
XLogP3
-1.8
Consensus LogP
-0.21
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.84
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.17
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
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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