CAS RN: 171567-86-5
MOC-D-Valine
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.20260224 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-075556
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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
171567-86-5 / (2R)-2-(methoxycarbonylamino)-3-methylbutanoic acid
Basic Information
CAS
171567-86-5
Multi CAS
No
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
SMILES
CC(C)[C@H](C(=O)O)NC(=O)OC
InChI
InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m1/s1
InChIKey
CEFVHPDFGLDQKU-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.8
TPSA
75.63
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.9
Consensus LogP
0.58
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-3.47
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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