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CAS 1104-36-5 Dansyl-L-phenylalanine molecular structure lightbox
CAS RN: 1104-36-5

Dansyl-L-phenylalanine

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg In stock Shanghai, Hebei Inquiry
Batchno.20251003 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100mg In stock Inquiry
Batchno.20250917 1g In stock Inquiry
Batchno.20260211 250mg In stock Inquiry
Batchno.20260530 5g In stock Inquiry
  • Product code: SSC-011485
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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: ≥97%
  • 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 1104-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1104-36-5 / (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid

DANSYL-D-PHENYLALANINE FREE ACID | 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid | Dns-Phe-OH

Standard CAS: 1104-36-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1104-36-5
Multi CAS
Yes
Molecular Formula
C21H22N2O4S
Molecular Weight
398.500000
Exact Mass
398.130028
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKey
GPIOGTIFRDHWSB-SFHVURJKSA-N
Synonyms
DANSYL-D-PHENYLALANINE FREE ACID 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid Dns-Phe-OH 2-[5-(dimethylamino)naphthalene-1-sulfonamido]-3-phenylpropanoic acid dansyl-dl-phenylalanine

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
110.17
TPSA
86.71

LogP / Solubility

WLOGP
2.88
MLOGP
2.56
XLogP3
3.8
Consensus LogP
3.08
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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