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CAS 16874-09-2 H-TRP-OTBU HCL molecular structure lightbox
CAS RN: 16874-09-2

H-TRP-OTBU HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073503
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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 16874-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

16874-09-2 / tert-butyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate

Standard CAS: 16874-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16874-09-2
Multi CAS
No
Molecular Formula
C15H20N2O2
Molecular Weight
260.330000
Exact Mass
260.152478
SMILES
CC(C)(C)OC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)12(16)8-10-9-17-13-7-5-4-6-11(10)13/h4-7,9,12,17H,8,16H2,1-3H3/t12-/m0/s1
InChIKey
BCIXAFNTAKZNCN-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.82
TPSA
68.11

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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