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CAS 126496-81-9 N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester molecular structure lightbox
CAS RN: 126496-81-9

N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: SSC-033575
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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: 100g
  • 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 126496-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

126496-81-9 / benzyl (2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Standard CAS: 126496-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126496-81-9
Multi CAS
No
Molecular Formula
C26H24N2O4
Molecular Weight
428.500000
Exact Mass
428.173607
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O4/c29-25(31-17-19-9-3-1-4-10-19)24(15-21-16-27-23-14-8-7-13-22(21)23)28-26(30)32-18-20-11-5-2-6-12-20/h1-14,16,24,27H,15,17-18H2,(H,28,30)/t24-/m1/s1
InChIKey
UHYCVEDLXBEKPC-XMMPIXPASA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.79
TPSA
80.42

LogP / Solubility

WLOGP
4.75
MLOGP
4.21
XLogP3
4.8
Consensus LogP
4.59
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
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)
-1.96

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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