CAS RN: 2325-18-0
DL-ALANYL-DL-NORVALINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS2325-18-0
- Purity/Analytical Methods: >99.0%
2325-18-0 / 2-(2-aminopropanoylamino)pentanoic acid
Basic Information
CAS
2325-18-0
Multi CAS
No
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
SMILES
CCCC(C(=O)O)NC(=O)C(C)N
InChI
InChI=1S/C8H16N2O3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
AIPOPRCRQHBMLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.12
TPSA
92.42
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.26
XLogP3
-3.2
Consensus LogP
-1.25
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
TETRAPHENYLPHOSPHINE IMIDE
- CAS RN: 2325-27-1
- Product Code: starshine_CAS2325-27-1
- Purity/Analytical method: >99.0%
-
-
-
S-[2-(acetylamino)ethyl] 3-oxobutanethioate
- CAS RN: 23255-41-6
- Product Code: starshine_CAS23255-41-6
- Purity/Analytical method: >99.0%
-
lunularic acid
- CAS RN: 23255-59-6
- Product Code: starshine_CAS23255-59-6
- Purity/Analytical method: >99.0%
-
sulfatroxazole
- CAS RN: 23256-23-7
- Product Code: starshine_CAS23256-23-7
- Purity/Analytical method: >99.0%
![CAS 23255-41-6 S-[2-(acetylamino)ethyl] 3-oxobutanethioate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23255-41-6.gif)
