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CAS 2621939-41-9 1H-Pyrrolizine-7a(5H)-methanol, tetrahydro-2-hydroxy-, (2R,7aS)-rel- molecular structure lightbox
CAS RN: 2621939-41-9

1H-Pyrrolizine-7a(5H)-methanol, tetrahydro-2-hydroxy-, (2R,7aS)-rel-

  • Product code: SSC-123431
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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: 1g
  • Available purity: ≥95%
  • 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 2621939-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2621939-41-9 / (2R,8S)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol

Standard CAS: 2621939-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2621939-41-9
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C1C[C@]2(C[C@H](CN2C1)O)CO
InChI
InChI=1S/C8H15NO2/c10-6-8-2-1-3-9(8)5-7(11)4-8/h7,10-11H,1-6H2/t7-,8+/m1/s1
InChIKey
BUFXVGQGOJHGMA-SFYZADRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.25
TPSA
43.7

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.38
XLogP3
-0.5
Consensus LogP
-0.43
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.98

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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