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CAS 1012059-49-2 2H-IMidazo[4,5-c]pyridine-2-thione, 4-chloro-1,3-dihydro-1-[(4-Methoxyphenyl)Methyl]- molecular structure lightbox
CAS RN: 1012059-49-2

2H-IMidazo[4,5-c]pyridine-2-thione, 4-chloro-1,3-dihydro-1-[(4-Methoxyphenyl)Methyl]-

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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Batchno.20260212 100mg In stock Shanghai, Tianjin Inquiry
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Batchno.20250320 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
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  • Product code: starshine_CAS1012059-49-2
  • Purity/Analytical Methods: >99.0%
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1012059-49-2 / 4-chloro-1-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

4-Chloro-1-(4-methoxybenzyl)-1H-imidazo[4,5-c]pyridine-2(3H)-thione | 2H-IMidazo[4,5-c]pyridine-2-thione, 4-chloro-1,3-dihydro-1-[(4-Methoxyphenyl)Methyl]- | 4-chloro-1-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

Standard CAS: 1012059-49-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1012059-49-2
Multi CAS
Yes
Molecular Formula
C14H12ClN3OS
Molecular Weight
305.800000
Exact Mass
305.038961
SMILES
COC1=CC=C(C=C1)CN2C3=C(C(=NC=C3)Cl)NC2=S
InChI
InChI=1S/C14H12ClN3OS/c1-19-10-4-2-9(3-5-10)8-18-11-6-7-16-13(15)12(11)17-14(18)20/h2-7H,8H2,1H3,(H,17,20)
InChIKey
FAYGWNFJDORJPY-UHFFFAOYSA-N
Synonyms
4-Chloro-1-(4-methoxybenzyl)-1H-imidazo[4,5-c]pyridine-2(3H)-thione 2H-IMidazo[4,5-c]pyridine-2-thione, 4-chloro-1,3-dihydro-1-[(4-Methoxyphenyl)Methyl]- 4-chloro-1-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione MFCD22571751 SCHEMBL1743446

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.02
TPSA
42.84

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
2.7
Consensus LogP
3.29
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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