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CAS 370879-53-1 CIS-5-BENZYLTETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE molecular structure lightbox
CAS RN: 370879-53-1

CIS-5-BENZYLTETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS370879-53-1
  • Purity/Analytical Methods: >99.0%
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370879-53-1 / (3aR,6aS)-5-benzyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

Standard CAS: 370879-53-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
370879-53-1
Multi CAS
Yes
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
InChI
InChI=1S/C13H14N2O2/c16-12-10-7-15(8-11(10)13(17)14-12)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16,17)/t10-,11+
InChIKey
COFHBZBIKPEYNP-PHIMTYICSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.85
TPSA
49.41

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

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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