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CAS 90657-55-9 trans-4-Cyclohexyl-L-proline hydrochloride molecular structure lightbox
CAS RN: 90657-55-9

trans-4-Cyclohexyl-L-proline hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS90657-55-9
  • Purity/Analytical Methods: >99.0%
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90657-55-9 / (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

Standard CAS: 90657-55-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90657-55-9
Multi CAS
Yes
Molecular Formula
C11H20CLNO2
Molecular Weight
233.730000
Exact Mass
233.118257
InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1
InChIKey
BHGFUQJUTOVQOS-UXQCFNEQSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.36
TPSA
49.33

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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