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CAS 2098127-36-5 trans-hexahydro-1h-furo[3,4-c]pyrrole molecular structure lightbox
CAS RN: 2098127-36-5

trans-hexahydro-1h-furo[3,4-c]pyrrole

  • Product code: SSC-099711
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2098127-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

2098127-36-5 / (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole

Standard CAS: 2098127-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098127-36-5
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
C1[C@@H]2COC[C@H]2CN1
InChI
InChI=1S/C6H11NO/c1-5-3-8-4-6(5)2-7-1/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKey
HQQVXVKQOPZRBJ-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.67
TPSA
21.26

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.14
XLogP3
-0.3
Consensus LogP
-0.2
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very 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)
-3.52

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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