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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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
355142-36-8 / 2-chloro-5-(5-formylfuran-2-yl)benzoic acid
Basic Information
CAS
355142-36-8
Multi CAS
No
Molecular Formula
C12H7CLO4
Molecular Weight
250.630000
Exact Mass
250.003286
InChI
InChI=1S/C12H7ClO4/c13-10-3-1-7(5-9(10)12(15)16)11-4-2-8(6-14)17-11/h1-6H,(H,15,16)
InChIKey
NVRSAJZMYULEFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.5
TPSA
67.51
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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
1.5
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![CAS 355406-09-6 1-(2-Methoxyethyl)-2-Methyl-4,9-dioxo-3-(pyrazin-2-ylMethyl)-4,9-dihydro-1H-naphtho[2,3-d]iMidazol-3-iuM chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/355406-09-6(2).gif)
![CAS 355406-76-7 N-[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-[(4-fluorophenyl)methyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/355406-76-7(2).gif)