![CAS 1251623-78-5 2-Amino-N-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251623-78-5.gif)
CAS RN: 1251623-78-5
2-Amino-N-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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.20251117 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1251623-78-5
- Purity/Analytical Methods: >99.0%
1251623-78-5 / 2-amino-N-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Basic Information
CAS
1251623-78-5
Multi CAS
No
Molecular Formula
C9H11N3O2S
Molecular Weight
225.270000
Exact Mass
225.057198
SMILES
C1CC2=C(C1)SC(=C2C(=O)NC(=O)N)N
InChI
InChI=1S/C9H11N3O2S/c10-7-6(8(13)12-9(11)14)4-2-1-3-5(4)15-7/h1-3,10H2,(H3,11,12,13,14)
InChIKey
WJQQXJCQWJBICR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.81
TPSA
98.21
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
1
Consensus LogP
0.73
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1251668-97-9 methyl2-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
methyl2-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)acetate
- CAS RN: 1251668-97-9
- Product Code: SSC-029864
-
-
2-[(6-Chloro-2-Methyl-4-pyriMidinyl)aMino]-5-thiazolecarboxylic Acid Methyl Ester
- CAS RN: 1251716-80-9
- Product Code: SSC-029868
-
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)FURO[2,3-B]PYRIDINE
- CAS RN: 1251728-92-3
- Product Code: SSC-029869
-
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethyl acetate
- CAS RN: 1251731-71-1
- Product Code: SSC-029874
-
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enylcarbamate
- CAS RN: 1251732-64-5
- Product Code: SSC-029875
![CAS 1251668-97-9 methyl2-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251668-97-9.gif)
![CAS 1251712-84-1 2,9-dioxa-6-azaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251712-84-1.gif)
![CAS 1251716-80-9 2-[(6-Chloro-2-Methyl-4-pyriMidinyl)aMino]-5-thiazolecarboxylic Acid Methyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251716-80-9.gif)
![CAS 1251728-92-3 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)FURO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251728-92-3.gif)
