![CAS 1150701-66-8 1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150701-66-8.gif)
CAS RN: 1150701-66-8
1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1150701-66-8
- Purity/Analytical Methods: >99.0%
1150701-66-8 / 1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
SCD inhibitor 1 | GSK1940029 | 1-[(3,4-dichlorophenyl)methyl]-n-[4-(hydroxymethyl)phenyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide
Basic Information
CAS
1150701-66-8
Multi CAS
No
Molecular Formula
C18H16Cl2N4O2
Molecular Weight
391.200000
Exact Mass
390.065031
SMILES
CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CO
InChI
InChI=1S/C18H16Cl2N4O2/c1-11-17(18(26)21-14-5-2-12(10-25)3-6-14)22-23-24(11)9-13-4-7-15(19)16(20)8-13/h2-8,25H,9-10H2,1H3,(H,21,26)
InChIKey
QQRGSFYTPBYCFD-UHFFFAOYSA-N
Synonyms
SCD inhibitor 1
GSK1940029
1-[(3,4-dichlorophenyl)methyl]-n-[4-(hydroxymethyl)phenyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide
1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
D inhibitor GSK1940029
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.64
TPSA
80.04
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.2
Consensus LogP
3.39
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
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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