![CAS 1072145-33-5 N-[3-(4,5-DIHYDRO-2-THIAZOLYL)-2-THIAZOLIDINYLIDENE]-5H DIBENZO[A,D] CYCLOHEPTEN-5-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072145-33-5.gif)
CAS RN: 1072145-33-5
N-[3-(4,5-DIHYDRO-2-THIAZOLYL)-2-THIAZOLIDINYLIDENE]-5H DIBENZO[A,D] CYCLOHEPTEN-5-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1072145-33-5
- Purity/Analytical Methods: >99.0%
1072145-33-5 / 3-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-1,3-thiazolidin-2-imine
N-(3-(4,5-Dihydrothiazol-2-yl)thiazolidin-2-ylidene)-5H-dibenzo[a,d][7]annulen-5-amine | ERR|A antagonist-1 | ERRalpha antagonist-1
Basic Information
CAS
1072145-33-5
Multi CAS
No
Molecular Formula
C21H19N3S2
Molecular Weight
377.500000
Exact Mass
377.102040
SMILES
C1CSC(=N1)N2CCSC2=NC3C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C21H19N3S2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)23-21-24(12-14-26-21)20-22-11-13-25-20/h1-10,19H,11-14H2
InChIKey
OWLQZFQCFCNPKV-UHFFFAOYSA-N
Synonyms
N-(3-(4,5-Dihydrothiazol-2-yl)thiazolidin-2-ylidene)-5H-dibenzo[a,d][7]annulen-5-amine
ERR|A antagonist-1
ERRalpha antagonist-1
MFCD17676143
C21H19N3S2
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
115.01
TPSA
27.96
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.8
Consensus LogP
4.6
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.19
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)
-1.64
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
3.5
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