[email protected]
CAS 81323-59-3 tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoate molecular structure lightbox
CAS RN: 81323-59-3

tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-189826
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, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 81323-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

81323-59-3 / tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Standard CAS: 81323-59-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81323-59-3
Multi CAS
Yes
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
InChI
InChI=1S/C13H23NO5/c1-12(2,3)18-10(16)9(7-8-15)14-11(17)19-13(4,5)6/h8-9H,7H2,1-6H3,(H,14,17)/t9-/m0/s1
InChIKey
IDTQQOOKLSBNKR-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.68
TPSA
81.7

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us