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CAS 57850-17-6 Z-TRP-TRP-OH molecular structure lightbox
CAS RN: 57850-17-6

Z-TRP-TRP-OH

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250917 1g In stock Shanghai Inquiry
Batchno.20251215 25g In stock Tianjin Inquiry
Batchno.20260328 5g In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-166061
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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 57850-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

57850-17-6 / 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Standard CAS: 57850-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57850-17-6
Multi CAS
Yes
Molecular Formula
C30H28N4O5
Molecular Weight
524.600000
Exact Mass
524.205970
InChI
InChI=1S/C30H28N4O5/c35-28(33-27(29(36)37)15-21-17-32-25-13-7-5-11-23(21)25)26(14-20-16-31-24-12-6-4-10-22(20)24)34-30(38)39-18-19-8-2-1-3-9-19/h1-13,16-17,26-27,31-32H,14-15,18H2,(H,33,35)(H,34,38)(H,36,37)/t26-,27-/m0/s1
InChIKey
IGVSKBFIFVGVSE-SVBPBHIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
5
Molar refractivity
147.12
TPSA
136.31

LogP / Solubility

WLOGP
4.3
MLOGP
3.82
XLogP3
4.2
Consensus LogP
4.11
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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