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CAS 866319-08-6 Cis-Hexahydropyrrolo[3,4-C]Pyrrol-1(2H)-One Hydrochloride molecular structure lightbox
CAS RN: 866319-08-6

Cis-Hexahydropyrrolo[3,4-C]Pyrrol-1(2H)-One Hydrochloride

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260530 100mg Out of stock Inquiry
Batchno.20251001 250mg Out of stock Inquiry
Batchno.20260105 50mg Out of stock Inquiry
  • Product code: starshine_CAS866319-08-6
  • Purity/Analytical Methods: >99.0%
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866319-08-6 / 2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

Standard CAS: 866319-08-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
866319-08-6
Multi CAS
Yes
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
InChI
InChI=1S/C6H10N2O/c9-6-5-3-7-1-4(5)2-8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m1/s1
InChIKey
SYPKIQNBMOELDJ-RFZPGFLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.86
TPSA
41.13

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.1
Consensus LogP
-1.03
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-4.23

Drug-likeness / Medicinal Chemistry

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

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