![CAS 923723-55-1 2-[(THIEN-3-YLCARBONYL)AMINO]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0190778.gif)
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
923723-55-1 / 2-chloro-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide
Basic Information
CAS
923723-55-1
Multi CAS
Yes
Molecular Formula
C15H13CLFN3O
Molecular Weight
305.730000
Exact Mass
305.073118
InChI
InChI=1S/C15H13ClFN3O/c1-9-10(2)20(12-5-3-11(17)4-6-12)15(13(9)8-18)19-14(21)7-16/h3-6H,7H2,1-2H3,(H,19,21)
InChIKey
OSFNPMVTACBBBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.27
TPSA
57.82
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.6
Consensus LogP
3.26
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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