![CAS 35231-44-8 Br-Mmc (=4-Bromomethyl-7-methoxycoumarin) [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5551-jpgcontextbwfzdgvyfhjvb3r8mzm3ndj8aw1hz2uvanblz3xondmvagy1lzg5mjg1mty3mdiymzgvqtu1nteuanbnfgjmnzvioduwnmu1zthiztdjmjjkzjc2mdq4ymzjzmrkyzy3yzc4yjdjngy5ndywmzrhzjczzdfmndk2yzg2zdg.jpeg)
CAS RN: 35231-44-8
Br-Mmc (=4-Bromomethyl-7-methoxycoumarin) [for HPLC Labeling]
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 10g | Out of stock | Inquiry | |
| Batchno.20250710 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250517 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250216 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250508 | 5g | In stock | Chengdu | Inquiry |
- Product code: SSC-142113
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
35231-44-8 / 4-(bromomethyl)-7-methoxychromen-2-one
Basic Information
CAS
35231-44-8
Multi CAS
Yes
Molecular Formula
C11H9BRO3
Molecular Weight
269.090000
Exact Mass
267.973510
InChI
InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKey
CTENSLORRMFPDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.67
TPSA
39.44
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.45
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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