CAS RN: 70155-90-7
DEPS
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.20260524 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70155-90-7
- Purity/Analytical Methods: >99.0%
70155-90-7 / 3-[diethyl(prop-2-ynyl)azaniumyl]propane-1-sulfonate
Basic Information
CAS
70155-90-7
Multi CAS
Yes
Molecular Formula
C10H19NO3S
Molecular Weight
233.330000
Exact Mass
233.108565
InChI
InChI=1S/C10H19NO3S/c1-4-8-11(5-2,6-3)9-7-10-15(12,13)14/h1H,5-10H2,2-3H3
InChIKey
XTPJLNSARGBDNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
59.09
TPSA
57.2
LogP / Solubility
WLOGP
0.41
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 70156-40-0 Methyl 3-[(4-Hydroxyphenyl)aMino]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70156-40-0.gif)
