CAS RN: 1263044-69-4
4,7,10,13-Tetraoxapentadecanoic acid, 15-amino-, methyl ester
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.20260517 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263044-69-4
- Purity/Analytical Methods: >99.0%
1263044-69-4 / methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1263044-69-4
Multi CAS
No
Molecular Formula
C12H25NO6
Molecular Weight
279.330000
Exact Mass
279.168188
SMILES
COC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C12H25NO6/c1-15-12(14)2-4-16-6-8-18-10-11-19-9-7-17-5-3-13/h2-11,13H2,1H3
InChIKey
VLFKACRIAGHXGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
68.96
TPSA
89.24
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.36
XLogP3
-1.5
Consensus LogP
-0.76
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
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)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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