CAS RN: 2225903-66-0
4,7,10,13,16,19,22,25,28,31,34,37,40-Tridecaoxatritetracontanedioic acid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-107273
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
2225903-66-0 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2225903-66-0
Multi CAS
No
Molecular Formula
C30H58O17
Molecular Weight
690.800000
Exact Mass
690.367400
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C30H58O17/c31-29(32)1-3-35-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-36-4-2-30(33)34/h1-28H2,(H,31,32)(H,33,34)
InChIKey
KOVYBDAGTRVAAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.93
Rotatable bonds
42
H-bond acceptors
15
H-bond donors
2
Molar refractivity
165.15
TPSA
194.59
LogP / Solubility
WLOGP
0.15
MLOGP
0.19
XLogP3
-2.7
Consensus LogP
-0.79
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.32
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)
-6.83
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
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