CAS RN: 4386-07-6
2-cyano-2-ethylbutanoic 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.20250912 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4386-07-6
- Purity/Analytical Methods: >99.0%
4386-07-6 / 2-cyano-2-ethylbutanoic acid
Basic Information
CAS
4386-07-6
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKey
UXZGCSZDLSBANM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.26
TPSA
61.09
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
7-amino-1-naphthol
- CAS RN: 4384-92-3
- Product Code: starshine_CAS4384-92-3
- Purity/Analytical method: >99.0%
-
N,N-DIMETHYLHEXYLAMINE
- CAS RN: 4385-04-0
- Product Code: starshine_CAS4385-04-0
- Purity/Analytical method: >99.0%
-
-
-
-
