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CAS 1449131-14-9 (S)-1-(Azetidin-3-yl)pyrrolidin-3-ol hydrochloride molecular structure lightbox
CAS RN: 1449131-14-9

(S)-1-(Azetidin-3-yl)pyrrolidin-3-ol hydrochloride

  • Product code: SSC-056283
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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 1449131-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1449131-14-9 / (3S)-1-(azetidin-3-yl)pyrrolidin-3-ol;hydrochloride

Standard CAS: 1449131-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449131-14-9
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
C1CN(C[C@H]1O)C2CNC2.Cl
InChI
InChI=1S/C7H14N2O.ClH/c10-7-1-2-9(5-7)6-3-8-4-6;/h6-8,10H,1-5H2;1H/t7-;/m0./s1
InChIKey
RHWNZZNQNPTFDG-FJXQXJEOSA-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
46.1
TPSA
35.5

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.49
XLogP3
-0.55
Consensus LogP
-0.53
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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