CAS RN: 1007880-55-8
D-Valine, N,N-diethyl-
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 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-001504
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1007880-55-8 / (2R)-2-(diethylamino)-3-methylbutanoic acid
n,n-diethylvaline | Diethylvaline | 2-(DIETHYLAMINO)-3-METHYLBUTANOIC ACID
Basic Information
CAS
1007880-55-8
Multi CAS
Yes
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
SMILES
CCN(CC)[C@H](C(C)C)C(=O)O
InChI
InChI=1S/C9H19NO2/c1-5-10(6-2)8(7(3)4)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKey
XUWHRJBRJWTAPR-MRVPVSSYSA-N
Synonyms
n,n-diethylvaline
Diethylvaline
2-(DIETHYLAMINO)-3-METHYLBUTANOIC ACID
MFCD11122749
SCHEMBL172217
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
40.54
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
-0.3
Consensus LogP
0.8
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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