[email protected]
CAS 87884-14-8 methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate molecular structure lightbox
CAS RN: 87884-14-8

methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoate

  • Product code: SSC-198243
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: 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 87884-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry

87884-14-8 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Standard CAS: 87884-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87884-14-8
Multi CAS
Yes
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(5-6-12)8(13)15-4/h6-7H,5H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKey
YRBARHABTATAFQ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.85
TPSA
81.7

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.3
Consensus LogP
0.5
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us