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CAS 106864-37-3 FMOC-TYR(SO3H)-OH SODIUM SALT molecular structure lightbox
CAS RN: 106864-37-3

FMOC-TYR(SO3H)-OH SODIUM SALT

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-008357
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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 106864-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

106864-37-3 / sodium [4-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl] sulfate

Fmoc-O-Sulfo-L-Tyrosine sodium salt | RefChem:599561 | 815-519-5

Standard CAS: 106864-37-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106864-37-3
Multi CAS
Yes
Molecular Formula
C24H20NNaO8S
Molecular Weight
505.500000
Exact Mass
505.080732
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)[O-])C(=O)O.[Na+]
InChI
InChI=1S/C24H21NO8S.Na/c26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H,29,30,31);/q;+1/p-1/t22-;/m0./s1
InChIKey
WSZCHQPWBPMXJT-FTBISJDPSA-M
Synonyms
Fmoc-O-Sulfo-L-Tyrosine sodium salt RefChem:599561 815-519-5 FMOC-TYR(SO3H)-OH SODIUM SALT MFCD00077078

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
120.1
TPSA
142.06

LogP / Solubility

WLOGP
0.06
MLOGP
0.09
XLogP3
0.06
Consensus LogP
0.07
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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