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CAS 160816-27-3 2-Boc-aMino-N-Methoxy-N-Methyl-isobutyricaMide molecular structure lightbox
CAS RN: 160816-27-3

2-Boc-aMino-N-Methoxy-N-Methyl-isobutyricaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-068583
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 160816-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

160816-27-3 / tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

Standard CAS: 160816-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160816-27-3
Multi CAS
No
Molecular Formula
C11H22N2O4
Molecular Weight
246.300000
Exact Mass
246.157957
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)N(C)OC
InChI
InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)12-11(4,5)8(14)13(6)16-7/h1-7H3,(H,12,15)
InChIKey
XRIPRJRSUDUZQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.23
TPSA
67.87

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.19
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-3.29

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
1.5

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