![CAS 518012-62-9 [2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY] P& molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/518012-62-9.gif)
CAS RN: 518012-62-9
[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY] P&
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.20251225 | 1ml | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS518012-62-9
- Purity/Analytical Methods: >99.0%
518012-62-9 / 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
518012-62-9
Multi CAS
Yes
Molecular Formula
C14H22O6S
Molecular Weight
318.390000
Exact Mass
318.113710
InChI
InChI=1S/C14H22O6S/c1-13-3-5-14(6-4-13)21(15,16)20-12-11-19-10-9-18-8-7-17-2/h3-6H,7-12H2,1-2H3
InChIKey
IUDNRKGPFWUYIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
77.83
TPSA
71.06
LogP / Solubility
WLOGP
1.38
MLOGP
1.23
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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