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CAS 111769-27-8 R(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SU molecular structure lightbox
CAS RN: 111769-27-8

R(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SU

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 10g Out of stock Inquiry
Batchno.20251207 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250315 250mg In stock Shanghai Inquiry
Batchno.20251025 25g Out of stock Inquiry
Batchno.20250926 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260618 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-012295
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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, 5g
  • 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 111769-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

111769-27-8 / 4-methylbenzenesulfonic acid;(3R)-oxolan-3-amine

DTXSID80557885 | 4-Methylbenzene-1-sulfonic acid--(3R)-oxolan-3-amine (1/1) | RefChem:1071144

Standard CAS: 111769-27-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111769-27-8
Multi CAS
Yes
Molecular Formula
C11H17NO4S
Molecular Weight
259.320000
Exact Mass
259.087829
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1COC[C@@H]1N
InChI
InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;5-4-1-2-6-3-4/h2-5H,1H3,(H,8,9,10);4H,1-3,5H2/t;4-/m.1/s1
InChIKey
BZXPLADBSZWDIH-FZSMXKCYSA-N
Synonyms
DTXSID80557885 4-Methylbenzene-1-sulfonic acid--(3R)-oxolan-3-amine (1/1) RefChem:1071144 DTXCID50508667 (R)-3-Aminotetrahydrofuran tosylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.41
TPSA
89.62

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning 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+P317, 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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