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CAS 201290-11-1 H-D-TRP(BOC)-OH molecular structure lightbox
CAS RN: 201290-11-1

H-D-TRP(BOC)-OH

  • Product code: SSC-094960
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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: 5g
  • 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 201290-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

201290-11-1 / (2R)-2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Standard CAS: 201290-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201290-11-1
Multi CAS
No
Molecular Formula
C16H20N2O4
Molecular Weight
304.340000
Exact Mass
304.142307
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)N
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-9-10(8-12(17)14(19)20)11-6-4-5-7-13(11)18/h4-7,9,12H,8,17H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKey
DYWUPCCKOVTCFZ-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.89
TPSA
94.55

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
-0.1
Consensus LogP
1.46
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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