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CAS 104612-35-3 (S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE molecular structure lightbox
CAS RN: 104612-35-3

(S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS104612-35-3
  • Purity/Analytical Methods: >99.0%
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104612-35-3 / (3S)-3-hydroxy-1-methylpyrrolidine-2,5-dione

2-Hydroxy-N-methylsuccinimide | 9XH7E7CQN4 | NSC-92546

Standard CAS: 104612-35-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104612-35-3
Multi CAS
Yes
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
SMILES
CN1C(=O)C[C@@H](C1=O)O
InChI
InChI=1S/C5H7NO3/c1-6-4(8)2-3(7)5(6)9/h3,7H,2H2,1H3/t3-/m0/s1
InChIKey
NLKACWKSCREJEL-VKHMYHEASA-N
Synonyms
2-Hydroxy-N-methylsuccinimide 9XH7E7CQN4 NSC-92546 3-Hydroxy-1-methyl-2,5-pyrrolidinedione 2-HMSI

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.4
TPSA
57.61

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.12
XLogP3
-1.4
Consensus LogP
-1.26
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.55
Class (SILICOS-IT)
Highly 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)
-4.41

Drug-likeness / Medicinal Chemistry

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