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CAS 1212157-31-7 trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1212157-31-7

trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine(SALTDATA: FREE)

  • Product code: SSC-022987
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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: 5g
  • 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 1212157-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1212157-31-7 / (3R,4R)-4-pyrrolidin-1-yloxolan-3-amine

trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine | (3R,4R)-4-(Pyrrolidin-1-yl)tetrahydrofuran-3-amine | (3R,4R)-4-pyrrolidin-1-yloxolan-3-amine

Standard CAS: 1212157-31-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212157-31-7
Multi CAS
Yes
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
SMILES
C1CCN(C1)[C@H]2COC[C@@H]2N
InChI
InChI=1S/C8H16N2O/c9-7-5-11-6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKey
MPUPFMVCVAXZKQ-YUMQZZPRSA-N
Synonyms
trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine (3R,4R)-4-(Pyrrolidin-1-yl)tetrahydrofuran-3-amine (3R,4R)-4-pyrrolidin-1-yloxolan-3-amine trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine(SALTDATA: FREE) MFCD11617300

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.39
TPSA
38.49

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.4
Consensus LogP
-0.25
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-3.81

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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