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CAS RN: 114772-38-2
Methyl 2-[4-(Bromomethyl)phenyl]benzoate
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250311 | 100g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250222 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260308 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260614 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-014499
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: 25g, 10g, 100g, 5g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
114772-38-2 / methyl 2-[4-(bromomethyl)phenyl]benzoate
Methyl 4'-(Bromomethyl)biphenyl-2-carboxylate | RefChem:815652 | 601-325-6
Basic Information
CAS
114772-38-2
Multi CAS
Yes
Molecular Formula
C15H13BrO2
Molecular Weight
305.170000
Exact Mass
304.009890
SMILES
COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
InChI
InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
InChIKey
RMXGTMRDXKUUDJ-UHFFFAOYSA-N
Synonyms
Methyl 4'-(Bromomethyl)biphenyl-2-carboxylate
RefChem:815652
601-325-6
Methyl 2-[4-(bromomethyl)phenyl]benzoate
Methyl 4'-bromomethyl biphenyl-2-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.85
TPSA
26.3
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
4.6
Consensus LogP
4.07
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
