CAS RN: 126872-00-2
N-FORMYL-DL-ETHIONINE
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.20260627 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS126872-00-2
- Purity/Analytical Methods: >99.0%
126872-00-2 / 4-ethylsulfanyl-2-formamidobutanoic acid
Basic Information
CAS
126872-00-2
Multi CAS
No
Molecular Formula
C7H13NO3S
Molecular Weight
191.250000
Exact Mass
191.061614
SMILES
CCSCCC(C(=O)O)NC=O
InChI
InChI=1S/C7H13NO3S/c1-2-12-4-3-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
XARCKCMBMDYFMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.24
TPSA
66.4
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.6
Consensus LogP
0.41
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-2-HYDROXYMETHYL-PIPERAZINE
- CAS RN: 126872-94-4
- Product Code: starshine_CAS126872-94-4
- Purity/Analytical method: >99.0%
-
[(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]β-D-xylopyranoside
- CAS RN: 126882-53-9
- Product Code: starshine_CAS126882-53-9
- Purity/Analytical method: >99.0%
-
3-Methoxy-5-heneicosylphel
- CAS RN: 126882-76-6
- Product Code: starshine_CAS126882-76-6
- Purity/Analytical method: >99.0%
-
-
-
![CAS 126882-53-9 [(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]β-D-xylopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126882-53-9.gif)
