[email protected]
CAS 86674-78-4 (2S)-2-[(tert-butylcarbamoyl)amino]-3-methylbutanoic Acid molecular structure lightbox
CAS RN: 86674-78-4

(2S)-2-[(tert-butylcarbamoyl)amino]-3-methylbutanoic Acid

  • Product code: SSC-195908
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 86674-78-4
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

86674-78-4 / 2-(tert-butylcarbamoylamino)-3-methylbutanoic acid

Standard CAS: 86674-78-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86674-78-4
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
InChI
InChI=1S/C10H20N2O3/c1-6(2)7(8(13)14)11-9(15)12-10(3,4)5/h6-7H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKey
RCDXPYXXFNYXKK-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
57.68
TPSA
78.43

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us