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CAS 67010-09-7 n-acetyl-5-Methoxy-l-tryptophan molecular structure lightbox
CAS RN: 67010-09-7

n-acetyl-5-Methoxy-l-tryptophan

  • Product code: SSC-176678
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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 67010-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

67010-09-7 / (2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Standard CAS: 67010-09-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67010-09-7
Multi CAS
Yes
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
InChI
InChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-4-3-10(20-2)6-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKey
IJODSTPSSWJSBC-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
73.8
TPSA
91.42

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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