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CAS 123750-60-7 (R)-(-)-Glycidyl-4-nitrobenzenesulfonate molecular structure lightbox
CAS RN: 123750-60-7

(R)-(-)-Glycidyl-4-nitrobenzenesulfonate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS123750-60-7
  • Purity/Analytical Methods: >99.0%
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123750-60-7 / [(2R)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate

Standard CAS: 123750-60-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123750-60-7
Multi CAS
No
Molecular Formula
C9H9NO6S
Molecular Weight
259.240000
Exact Mass
259.015058
SMILES
C1[C@@H](O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6S/c11-10(12)7-1-3-9(4-2-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m1/s1
InChIKey
CXYDYDCHYJXOEY-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
55.97
TPSA
99.04

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.81

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
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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