[email protected]
CAS 402-71-1 N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone molecular structure lightbox
CAS RN: 402-71-1

N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
Batchno.20250330 1g In stock Shanghai Inquiry
Batchno.20260202 250mg In stock Shanghai Inquiry
Batchno.20260109 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-148276
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 402-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

402-71-1 / N-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide

Standard CAS: 402-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
402-71-1
Multi CAS
Yes
Molecular Formula
C17H18CLNO3S
Molecular Weight
351.800000
Exact Mass
351.069592
InChI
InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChIKey
MQUQNUAYKLCRME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.16
TPSA
63.24

LogP / Solubility

WLOGP
2.69
MLOGP
2.39
XLogP3
3.6
Consensus LogP
2.89
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95

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

Customers Also Viewed

Get In Touch

Contact Us