![CAS 923206-07-9 2-[(2-CHLOROPROPANOYL)AMINO]-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0491888.gif)
CAS RN: 923206-07-9
2-[(2-CHLOROPROPANOYL)AMINO]-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
- Product code: SSC-205930
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
923206-07-9 / 2-(2-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Basic Information
CAS
923206-07-9
Multi CAS
No
Molecular Formula
C11H13CLN2O2S
Molecular Weight
272.750000
Exact Mass
272.038627
InChI
InChI=1S/C11H13ClN2O2S/c1-5(12)10(16)14-11-8(9(13)15)6-3-2-4-7(6)17-11/h5H,2-4H2,1H3,(H2,13,15)(H,14,16)
InChIKey
DXJKBBKFCVPHAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.81
TPSA
72.19
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 923216-53-9 3-(1-METHYL-4-OXO-1,4-DIHYDRO-5H-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2796213.gif)
