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CAS 14287-98-0 N,N,N’,N’-Tetrabutylmalonamide molecular structure lightbox
CAS RN: 14287-98-0

N,N,N’,N’-Tetrabutylmalonamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 1g In stock Shanghai Inquiry
  • Product code: SSC-054120
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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: 5g
  • Available purity: ≥96%
  • 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 14287-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

14287-98-0 / N,N,N',N'-tetrabutylpropanediamide

Standard CAS: 14287-98-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14287-98-0
Multi CAS
No
Molecular Formula
C19H38N2O2
Molecular Weight
326.500000
Exact Mass
326.293328
SMILES
CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC
InChI
InChI=1S/C19H38N2O2/c1-5-9-13-20(14-10-6-2)18(22)17-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChIKey
QTVRIQFMPJRJAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
97.41
TPSA
40.62

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
4.4
Consensus LogP
4.12
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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