CAS RN: 1131594-24-5
3-Bromo-4-morpholinobenzoic Acid
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260427 | 250mg / 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013327
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 25g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1131594-24-5 / 3-bromo-4-morpholin-4-ylbenzoic acid
3-bromo-4-morpholinobenzoic acid | MFCD11110891 | 3-bromo-4-morpholin-4-ylbenzoic acid
Basic Information
CAS
1131594-24-5
Multi CAS
Yes
Molecular Formula
C11H12BrNO3
Molecular Weight
286.120000
Exact Mass
285.000060
SMILES
C1COCCN1C2=C(C=C(C=C2)C(=O)O)Br
InChI
InChI=1S/C11H12BrNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKey
XPMSVZSWUDDSAW-UHFFFAOYSA-N
Synonyms
3-bromo-4-morpholinobenzoic acid
MFCD11110891
3-bromo-4-morpholin-4-ylbenzoic acid
3-Bromo-4-(morpholin-4-yl)benzoic acid
3-Bromo-4-morpholinobenzoicAcid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.13
TPSA
49.77
LogP / Solubility
WLOGP
1.98
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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