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CAS 385398-15-2 1-[(4-METHOXYPHENYL)SULFONYL]-4-PIPERIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 385398-15-2

1-[(4-METHOXYPHENYL)SULFONYL]-4-PIPERIDINECARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS385398-15-2
  • Purity/Analytical Methods: >99.0%
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385398-15-2 / 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid

Standard CAS: 385398-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
385398-15-2
Multi CAS
No
Molecular Formula
C13H17NO5S
Molecular Weight
299.340000
Exact Mass
299.082744
InChI
InChI=1S/C13H17NO5S/c1-19-11-2-4-12(5-3-11)20(17,18)14-8-6-10(7-9-14)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKey
XCSWWTGQHOOLAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.11
TPSA
83.91

LogP / Solubility

WLOGP
1.18
MLOGP
1.05
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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