![CAS 925069-34-7 2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/925069-34-7.gif)
CAS RN: 925069-34-7
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS925069-34-7
- Purity/Analytical Methods: >99.0%
925069-34-7 / 2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
Basic Information
CAS
925069-34-7
Multi CAS
Yes
Molecular Formula
C16H16CLN3O2S2
Molecular Weight
381.900000
Exact Mass
381.037247
InChI
InChI=1S/C16H16ClN3O2S2/c1-3-11-8(2)24-15(12(11)13(18)21)20-16(23)19-14(22)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H2,18,21)(H2,19,20,22,23)
InChIKey
MIERMBQDBLFAFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
102.09
TPSA
84.22
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
4.2
Consensus LogP
3.6
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
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)
-2.57
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
2.5
Customers Also Viewed
-
-
2-(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ETHYLAMINE
- CAS RN: 925154-89-8
- Product Code: SSC-206208
-
1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid(SALTDATA: FREE)
- CAS RN: 925178-99-0
- Product Code: starshine_CAS925178-99-0
- Purity/Analytical method: >99.0%
-
1-DIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID
- CAS RN: 925179-02-8
- Product Code: SSC-206209
-
-
2-DIFLUOROMETHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID
- CAS RN: 925199-97-9
- Product Code: SSC-206211
![CAS 925178-99-0 1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/925178-99-0.gif)
