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CAS 18375-65-0 N-hexadecyl-D-gluconamide molecular structure lightbox
CAS RN: 18375-65-0

N-hexadecyl-D-gluconamide

  • Product code: SSC-084994
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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 18375-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

18375-65-0 / (2R,3S,4R,5R)-N-hexadecyl-2,3,4,5,6-pentahydroxyhexanamide

Standard CAS: 18375-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18375-65-0
Multi CAS
No
Molecular Formula
C22H45NO6
Molecular Weight
419.600000
Exact Mass
419.324688
SMILES
CCCCCCCCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C22H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22(29)21(28)20(27)19(26)18(25)17-24/h18-21,24-28H,2-17H2,1H3,(H,23,29)/t18-,19-,20+,21-/m1/s1
InChIKey
BAQZGMGRUAWPCJ-MXEMCNAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
6
H-bond donors
6
Molar refractivity
114.43
TPSA
130.25

LogP / Solubility

WLOGP
2.02
MLOGP
1.8
XLogP3
4.1
Consensus LogP
2.64
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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