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CAS 90291-46-6 N-(1-Naphthalenesulfonyl)-L-phenylalanine molecular structure lightbox
CAS RN: 90291-46-6

N-(1-Naphthalenesulfonyl)-L-phenylalanine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 1g In stock Shanghai Inquiry
  • Product code: SSC-202779
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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: 5g
  • 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 90291-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

90291-46-6 / 2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid

Standard CAS: 90291-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90291-46-6
Multi CAS
Yes
Molecular Formula
C19H17NO4S
Molecular Weight
355.400000
Exact Mass
355.087829
InChI
InChI=1S/C19H17NO4S/c21-19(22)17(13-14-7-2-1-3-8-14)20-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,20H,13H2,(H,21,22)
InChIKey
NWHURKYFYGKGRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.84
TPSA
83.47

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
3.7
Consensus LogP
3
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

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)
-2.89

Drug-likeness / Medicinal Chemistry

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

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