CAS RN: 1807540-79-9
Aminoxy-PEG3-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.20260414 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1807540-79-9
- Purity/Analytical Methods: >99.0%
1807540-79-9 / 3-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1807540-79-9
Multi CAS
No
Molecular Formula
C9H19NO6
Molecular Weight
237.250000
Exact Mass
237.121237
SMILES
C(COCCOCCOCCON)C(=O)O
InChI
InChI=1S/C9H19NO6/c10-16-8-7-15-6-5-14-4-3-13-2-1-9(11)12/h1-8,10H2,(H,11,12)
InChIKey
HCDJNGXHQUUUCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
2
Molar refractivity
54.85
TPSA
100.24
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
-3.9
Consensus LogP
-1.67
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-4.59
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
Customers Also Viewed
-
-
-
-
![CAS 1807542-78-4 2-Chloro-4-methoxythieno[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1807542-78-4.gif)
2-Chloro-4-methoxythieno[3,2-d]pyrimidine
- CAS RN: 1807542-78-4
- Product Code: starshine_CAS1807542-78-4
- Purity/Analytical method: >99.0%
-
-
