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CAS 158018-81-6 SULFO-N-SUCCINIMIDYL 4-MALEIMIDO- molecular structure lightbox
CAS RN: 158018-81-6

SULFO-N-SUCCINIMIDYL 4-MALEIMIDO-

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS158018-81-6
  • Purity/Analytical Methods: >99.0%
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158018-81-6 / 1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid

Standard CAS: 158018-81-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
158018-81-6
Multi CAS
No
Molecular Formula
C12H12N2O9S
Molecular Weight
360.300000
Exact Mass
360.026351
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O)S(=O)(=O)O
InChI
InChI=1S/C12H12N2O9S/c15-8-3-4-9(16)13(8)5-1-2-11(18)23-14-10(17)6-7(12(14)19)24(20,21)22/h3-4,7H,1-2,5-6H2,(H,20,21,22)
InChIKey
LCZVQHWMSQLWSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
72.99
TPSA
155.43

LogP / Solubility

WLOGP
-1.83
MLOGP
-1.6
XLogP3
-1.7
Consensus LogP
-1.71
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-6.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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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