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CAS 147852-26-4 (R)-(-)-Repaglinide (Repaglinide Impurity) molecular structure lightbox
CAS RN: 147852-26-4

(R)-(-)-Repaglinide (Repaglinide Impurity)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS147852-26-4
  • Purity/Analytical Methods: >99.0%
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147852-26-4 / 2-ethoxy-4-[2-[[(1R)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid

Standard CAS: 147852-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147852-26-4
Multi CAS
No
Molecular Formula
C27H36N2O4
Molecular Weight
452.600000
Exact Mass
452.267508
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
InChI
InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m1/s1
InChIKey
FAEKWTJYAYMJKF-HSZRJFAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.12
TPSA
78.87

LogP / Solubility

WLOGP
5.22
MLOGP
4.62
XLogP3
5.2
Consensus LogP
5.01
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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