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CAS 200865-04-9 (S)-tert-butyl (3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamate(WXC08256) molecular structure lightbox
CAS RN: 200865-04-9

(S)-tert-butyl (3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamate(WXC08256)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-094778
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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 200865-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

200865-04-9 / tert-butyl N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

Standard CAS: 200865-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200865-04-9
Multi CAS
No
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
SMILES
CC(C)(C)[C@@H](C(=O)NC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)8(9(15)13-7)14-10(16)17-12(4,5)6/h8H,1-7H3,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKey
BMDIHOPLEQXJHI-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.68
TPSA
67.43

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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