CAS RN: 1094281-72-7
5-(2,4-Dimethylphenyl)thiophene-2-carbaldehyde
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.20250111 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LIND913842
1094281-72-7 / 5-(2,4-dimethylphenyl)thiophene-2-carbaldehyde
5-(2,4-dimethylphenyl)thiophene-2-carbaldehyde | EN300-841945
Basic Information
CAS
1094281-72-7
Multi CAS
No
Molecular Formula
C13H12OS
Molecular Weight
216.300000
Exact Mass
216.060886
SMILES
CC1=CC(=C(C=C1)C2=CC=C(S2)C=O)C
InChI
InChI=1S/C13H12OS/c1-9-3-5-12(10(2)7-9)13-6-4-11(8-14)15-13/h3-8H,1-2H3
InChIKey
JBPQQMRHKDWJLP-UHFFFAOYSA-N
Synonyms
5-(2,4-dimethylphenyl)thiophene-2-carbaldehyde
EN300-841945
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.62
TPSA
17.07
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
3.8
Consensus LogP
3.68
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 175712-02-4 [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate
- CAS RN: 175712-02-4
- Product Code: SSC-077066
-
-
-
-
-
5-(2-Fluoro-4-methylphenyl)furan-2-carbaldehyde
- CAS RN: 1001010-59-8
- Product Code: LINF913814
![CAS 175712-02-4 [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/175712-02-4.png)
