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CAS 1555763-56-8 5-Cyclohexyl-1H-pyrrole-2-carboxylic acid molecular structure lightbox
CAS RN: 1555763-56-8

5-Cyclohexyl-1H-pyrrole-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1555763-56-8
  • Purity/Analytical Methods: >99.0%
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1555763-56-8 / 5-cyclohexyl-1H-pyrrole-2-carboxylic acid

Standard CAS: 1555763-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1555763-56-8
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
C1CCC(CC1)C2=CC=C(N2)C(=O)O
InChI
InChI=1S/C11H15NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,13,14)
InChIKey
XXJRKTLJUWDXIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
53.58
TPSA
53.09

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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