![CAS 332099-11-3 2-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332099-11-3.gif)
CAS RN: 332099-11-3
2-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid
- Product code: SSC-139185
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
332099-11-3 / 2-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Basic Information
CAS
332099-11-3
Multi CAS
No
Molecular Formula
BC7H4O3Rn
Molecular Weight
230.020000
Exact Mass
228.937460
InChI
InChI=1S/C7H4BrNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKey
WZMNTSZIYSQDAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.22
TPSA
66.23
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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