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CAS 200259-87-6 Z-D-Asn(Trt)-OH molecular structure lightbox
CAS RN: 200259-87-6

Z-D-Asn(Trt)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251104 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-094279
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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: ≥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 200259-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

200259-87-6 / (2R)-4-oxo-2-(phenylmethoxycarbonylamino)-4-(tritylamino)butanoic acid

Standard CAS: 200259-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200259-87-6
Multi CAS
No
Molecular Formula
C31H28N2O5
Molecular Weight
508.600000
Exact Mass
508.199822
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C31H28N2O5/c34-28(21-27(29(35)36)32-30(37)38-22-23-13-5-1-6-14-23)33-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,32,37)(H,33,34)(H,35,36)/t27-/m1/s1
InChIKey
FPVBKISSJULIGI-HHHXNRCGSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
143.15
TPSA
104.73

LogP / Solubility

WLOGP
4.86
MLOGP
4.32
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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