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CAS 1419075-90-3 “CarbaMic acid, N-Methyl-N-[(3S,4S)-4-Methyl-3-piperidinyl]-, 1,1-diMethylethyl ester, rel-“ molecular structure lightbox
CAS RN: 1419075-90-3

“CarbaMic acid, N-Methyl-N-[(3S,4S)-4-Methyl-3-piperidinyl]-, 1,1-diMethylethyl ester, rel-“

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-052580
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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: 0.25g
  • 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 1419075-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1419075-90-3 / tert-butyl N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate

Standard CAS: 1419075-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1419075-90-3
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
C[C@H]1CCNC[C@H]1N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-9-6-7-13-8-10(9)14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKey
GEUGTHQTDCPAHY-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.44
TPSA
41.57

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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