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CAS 1599293-28-3 (1S,2S)-2-(2-isopropoxyethylamino)cyclopentanol hydrochloride molecular structure lightbox
CAS RN: 1599293-28-3

(1S,2S)-2-(2-isopropoxyethylamino)cyclopentanol hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS1599293-28-3
  • Purity/Analytical Methods: >99.0%
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1599293-28-3 / trans-(1S,2S)-2-(2-propan-2-yloxyethylamino)cyclopentan-1-ol;hydrochloride

Standard CAS: 1599293-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1599293-28-3
Multi CAS
No
Molecular Formula
C10H22ClNO2
Molecular Weight
223.740000
Exact Mass
223.133907
SMILES
CC(C)OCCN[C@H]1CCC[C@@H]1O.Cl
InChI
InChI=1S/C10H21NO2.ClH/c1-8(2)13-7-6-11-9-4-3-5-10(9)12;/h8-12H,3-7H2,1-2H3;1H/t9-,10-;/m0./s1
InChIKey
HEWRCUDSKFYWKE-IYPAPVHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.98
TPSA
41.49

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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