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CAS 374783-78-5 (S)-2-METHYL-1-(4-NITROBENZENESULFONYL)AZIRIDINE molecular structure lightbox
CAS RN: 374783-78-5

(S)-2-METHYL-1-(4-NITROBENZENESULFONYL)AZIRIDINE

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 1g Out of stock Inquiry
Batchno.20250828 250mg Out of stock Inquiry
  • Product code: starshine_CAS374783-78-5
  • Purity/Analytical Methods: >99.0%
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374783-78-5 / 2-methyl-1-(4-nitrophenyl)sulfonylaziridine

Standard CAS: 374783-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
374783-78-5
Multi CAS
Yes
Molecular Formula
C9H10N2O4S
Molecular Weight
242.250000
Exact Mass
242.036128
InChI
InChI=1S/C9H10N2O4S/c1-7-6-10(7)16(14,15)9-4-2-8(3-5-9)11(12)13/h2-5,7H,6H2,1H3/t7-,10?/m0/s1
InChIKey
IPKIIZQGCWXJFM-BYDSUWOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
56.45
TPSA
80.29

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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