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CAS 73793-91-6 N-palmitoylglutamic acid alpha-methyl ester molecular structure lightbox
CAS RN: 73793-91-6

N-palmitoylglutamic acid alpha-methyl ester

  • Product code: SSC-183228
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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 73793-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

73793-91-6 / (2S)-2-(hexadecanoylamino)-5-methoxy-5-oxopentanoic acid

Standard CAS: 73793-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73793-91-6
Multi CAS
Yes
Molecular Formula
C22H41NO5
Molecular Weight
399.600000
Exact Mass
399.298473
InChI
InChI=1S/C22H41NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)23-19(22(26)27)17-18-21(25)28-2/h19H,3-18H2,1-2H3,(H,23,24)(H,26,27)/t19-/m0/s1
InChIKey
MCEJPKVOPAAHPF-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.86
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.13
TPSA
92.7

LogP / Solubility

WLOGP
4.99
MLOGP
4.42
XLogP3
6.7
Consensus LogP
5.37
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
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
Yes
Log Kp (skin permeation)
-1.61

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
3

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