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CAS 1212301-32-0 trans-4-amino-1-isopropyl-3-pyrrolidinol(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 1212301-32-0

trans-4-amino-1-isopropyl-3-pyrrolidinol(SALTDATA: 2HCl)

  • Product code: SSC-023024
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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 1212301-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1212301-32-0 / (3S,4S)-4-amino-1-propan-2-ylpyrrolidin-3-ol

trans-4-amino-1-isopropyl-3-pyrrolidinol | trans-4-Amino-1-isopropylpyrrolidin-3-ol | (3S,4S)-4-amino-1-propan-2-ylpyrrolidin-3-ol

Standard CAS: 1212301-32-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212301-32-0
Multi CAS
Yes
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CC(C)N1C[C@@H]([C@H](C1)O)N
InChI
InChI=1S/C7H16N2O/c1-5(2)9-3-6(8)7(10)4-9/h5-7,10H,3-4,8H2,1-2H3/t6-,7-/m0/s1
InChIKey
QUGVYQWQGIUEHV-BQBZGAKWSA-N
Synonyms
trans-4-amino-1-isopropyl-3-pyrrolidinol trans-4-Amino-1-isopropylpyrrolidin-3-ol (3S,4S)-4-amino-1-propan-2-ylpyrrolidin-3-ol SCHEMBL15503299 trans-4-amino-1-isopropyl-3-pyrrolidinol(SALTDATA: 2HCl)

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.69
TPSA
49.49

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.54
XLogP3
-0.7
Consensus LogP
-0.61
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
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)
-4.03

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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