CAS RN: 1799506-30-1
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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.20260529 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-080296
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 | Shenzhen | Inquiry |
1799506-30-1 / 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Basic Information
CAS
1799506-30-1
Multi CAS
No
Molecular Formula
C16H31ClO7
Molecular Weight
370.900000
Exact Mass
370.175831
SMILES
C(CCCCl)CCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C16H31ClO7/c17-5-3-1-2-4-6-20-7-8-21-9-10-22-11-12-23-13-14-24-15-16(18)19/h1-15H2,(H,18,19)
InChIKey
JKRQJQUHILRKGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
20
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.92
TPSA
83.45
LogP / Solubility
WLOGP
1.95
MLOGP
1.74
XLogP3
1.1
Consensus LogP
1.6
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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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