CAS RN: 1021344-68-2
4-bromo-2-iodo-6-methylbenzoic acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251023 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250728 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260118 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250303 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250314 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250131 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-003405
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 | Shanghai | Inquiry |
1021344-68-2 / 4-bromo-2-iodo-6-methylbenzoic acid
4-bromo-2-iodo-6-methylbenzoic acid | MFCD34183000 | 4-bromo-2-iodo-6-methyl-benzoic acid
Basic Information
CAS
1021344-68-2
Multi CAS
No
Molecular Formula
C8H6BrIO2
Molecular Weight
340.940000
Exact Mass
339.859590
SMILES
CC1=CC(=CC(=C1C(=O)O)I)Br
InChI
InChI=1S/C8H6BrIO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
APDHMGCAOCTCNG-UHFFFAOYSA-N
Synonyms
4-bromo-2-iodo-6-methylbenzoic acid
MFCD34183000
4-bromo-2-iodo-6-methyl-benzoic acid
SCHEMBL3835523
SY517646
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.56
TPSA
37.3
LogP / Solubility
WLOGP
3.06
MLOGP
2.71
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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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