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CAS 158364-59-1 Carbamic acid,N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]-,methyl ester molecular structure lightbox
CAS RN: 158364-59-1

Carbamic acid,N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]-,methyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 1mg / 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS158364-59-1
  • Purity/Analytical Methods: >99.0%
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158364-59-1 / methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate

Standard CAS: 158364-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158364-59-1
Multi CAS
No
Molecular Formula
C19H22N4O2
Molecular Weight
338.400000
Exact Mass
338.174276
SMILES
CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
InChI
InChI=1S/C19H22N4O2/c1-12-7-5-8-16(22-19(24)25-4)15(12)11-20-17-9-6-10-23-14(3)13(2)21-18(17)23/h5-10,20H,11H2,1-4H3,(H,22,24)
InChIKey
NZQTVUWEPPDOKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.2
TPSA
67.66

LogP / Solubility

WLOGP
4.05
MLOGP
3.58
XLogP3
4
Consensus LogP
3.88
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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