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CAS 152438-62-5 Boc-Tyr(Bzl)-chloromethylketone molecular structure lightbox
CAS RN: 152438-62-5

Boc-Tyr(Bzl)-chloromethylketone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062278
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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 152438-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

152438-62-5 / tert-butyl N-[(2S)-4-chloro-3-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate

Standard CAS: 152438-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152438-62-5
Multi CAS
No
Molecular Formula
C22H26ClNO4
Molecular Weight
403.900000
Exact Mass
403.155036
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C22H26ClNO4/c1-22(2,3)28-21(26)24-19(20(25)14-23)13-16-9-11-18(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKey
ZQCWGEVCMARRSG-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.8
TPSA
64.63

LogP / Solubility

WLOGP
4.51
MLOGP
3.99
XLogP3
4.8
Consensus LogP
4.43
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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