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CAS 1234842-62-6 (R)-N-Acetyl-6-Fluoro-Trp-OMe molecular structure lightbox
CAS RN: 1234842-62-6

(R)-N-Acetyl-6-Fluoro-Trp-OMe

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-027212
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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: 0.25g
  • 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 1234842-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1234842-62-6 / methyl (2R)-2-acetamido-3-(6-fluoro-1H-indol-3-yl)propanoate

Standard CAS: 1234842-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234842-62-6
Multi CAS
No
Molecular Formula
C14H15FN2O3
Molecular Weight
278.280000
Exact Mass
278.106671
SMILES
CC(=O)N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)OC
InChI
InChI=1S/C14H15FN2O3/c1-8(18)17-13(14(19)20-2)5-9-7-16-12-6-10(15)3-4-11(9)12/h3-4,6-7,13,16H,5H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKey
CIJWYGWNKOFQDQ-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.58
TPSA
71.19

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
2.1
Consensus LogP
1.66
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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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