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CAS 64501-87-7 N-(4-Nitrophenylsulfonyl)-L-phenylalanine molecular structure lightbox
CAS RN: 64501-87-7

N-(4-Nitrophenylsulfonyl)-L-phenylalanine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-174260
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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 64501-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

64501-87-7 / 2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid

Standard CAS: 64501-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64501-87-7
Multi CAS
Yes
Molecular Formula
C15H14N2O6S
Molecular Weight
350.300000
Exact Mass
350.057257
InChI
InChI=1S/C15H14N2O6S/c18-15(19)14(10-11-4-2-1-3-5-11)16-24(22,23)13-8-6-12(7-9-13)17(20)21/h1-9,14,16H,10H2,(H,18,19)
InChIKey
JVHRPLXWZFPXIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.99
TPSA
126.61

LogP / Solubility

WLOGP
1.57
MLOGP
1.4
XLogP3
2.3
Consensus LogP
1.76
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

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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