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CAS 5616-87-5 L-Valine, N-Methyl-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 5616-87-5

L-Valine, N-Methyl-, 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-164139
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5616-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

5616-87-5 / tert-butyl 3-methyl-2-(methylamino)butanoate

Standard CAS: 5616-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5616-87-5
Multi CAS
Yes
Molecular Formula
C10H21NO2
Molecular Weight
187.280000
Exact Mass
187.157229
InChI
InChI=1S/C10H21NO2/c1-7(2)8(11-6)9(12)13-10(3,4)5/h7-8,11H,1-6H3
InChIKey
GQQBJNNCJGGHJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.53
TPSA
38.33

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.68
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.75

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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