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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1807518-67-7 / 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1807518-67-7
Multi CAS
No
Molecular Formula
C13H24BrNO7
Molecular Weight
386.240000
Exact Mass
385.073610
SMILES
C(COCCOCCOCCOCCNC(=O)CBr)C(=O)O
InChI
InChI=1S/C13H24BrNO7/c14-11-12(16)15-2-4-20-6-8-22-10-9-21-7-5-19-3-1-13(17)18/h1-11H2,(H,15,16)(H,17,18)
InChIKey
LMFYGPXSVUULRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.33
TPSA
103.32
LogP / Solubility
WLOGP
0.04
MLOGP
0.06
XLogP3
-0.8
Consensus LogP
-0.23
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-5.05
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
2.5
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Hydroxy-PEG3-NHS
- CAS RN: 1807518-71-3
- Product Code: starshine_CAS1807518-71-3
- Purity/Analytical method: >99.0%
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