CAS RN: 17665-00-8
L-Leu-D-Val-OH
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 / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS17665-00-8
- Purity/Analytical Methods: >99.0%
17665-00-8 / (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoic acid
Basic Information
CAS
17665-00-8
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)C[C@@H](C(=O)N[C@H](C(C)C)C(=O)O)N
InChI
InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1
InChIKey
MDSUKZSLOATHMH-DTWKUNHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61.83
TPSA
92.42
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
-2
Consensus LogP
-0.3
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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