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CAS 144599-95-1 BOC-TRP(BOC)-OH molecular structure lightbox
CAS RN: 144599-95-1

BOC-TRP(BOC)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 5g / 10g / 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-055803
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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: 25g
  • Available purity: ＞97%
  • 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 144599-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

144599-95-1 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Standard CAS: 144599-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144599-95-1
Multi CAS
No
Molecular Formula
C21H28N2O6
Molecular Weight
404.500000
Exact Mass
404.194737
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C21H28N2O6/c1-20(2,3)28-18(26)22-15(17(24)25)11-13-12-23(19(27)29-21(4,5)6)16-10-8-7-9-14(13)16/h7-10,12,15H,11H2,1-6H3,(H,22,26)(H,24,25)/t15-/m0/s1
InChIKey
FATGZMFSCKUQGO-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
108.07
TPSA
106.86

LogP / Solubility

WLOGP
3.94
MLOGP
3.5
XLogP3
3.9
Consensus LogP
3.78
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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