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CAS 101453-46-7 N(HYDROXYMETHYL)ALKANE(C=13)AMIDE molecular structure lightbox
CAS RN: 101453-46-7

N(HYDROXYMETHYL)ALKANE(C=13)AMIDE

  • Product code: SSC-002275
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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 101453-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

101453-46-7 / N-(hydroxymethyl)tetradecanamide

N-(Hydroxymethyl)tetradecanamide | N-Hydroxymethyl myristamide | NSC627350

Standard CAS: 101453-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101453-46-7
Multi CAS
No
Molecular Formula
C15H31NO2
Molecular Weight
257.410000
Exact Mass
257.235479
SMILES
CCCCCCCCCCCCCC(=O)NCO
InChI
InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)16-14-17/h17H,2-14H2,1H3,(H,16,18)
InChIKey
DOYNOQOFAMHNEH-UHFFFAOYSA-N
Synonyms
N-(Hydroxymethyl)tetradecanamide N-Hydroxymethyl myristamide NSC627350 NSC 627350 CHEMBL1973209

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.31
TPSA
49.33

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
5.2
Consensus LogP
4.09
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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