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CAS 72156-62-8 BOC-TRP-PHE-OME molecular structure lightbox
CAS RN: 72156-62-8

BOC-TRP-PHE-OME

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-181714
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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 72156-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

72156-62-8 / methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate

Standard CAS: 72156-62-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72156-62-8
Multi CAS
Yes
Molecular Formula
C26H31N3O5
Molecular Weight
465.500000
Exact Mass
465.226371
InChI
InChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-21(15-18-16-27-20-13-9-8-12-19(18)20)23(30)28-22(24(31)33-4)14-17-10-6-5-7-11-17/h5-13,16,21-22,27H,14-15H2,1-4H3,(H,28,30)(H,29,32)
InChIKey
BHPJYWAIFNMZLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
129.25
TPSA
109.52

LogP / Solubility

WLOGP
3.5
MLOGP
3.12
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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