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CAS RN: 306937-14-4
tert-Butyl N-(4-bromo-2-methylphenyl)carbamate
- Product code: SSC-135597
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, 10g, 25g, 100g
- 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 | Hong Kong | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 4 In Stock | Shanghai | Inquiry |
| 100g | >97% | 3 In Stock | Hong Kong | Inquiry |
306937-14-4 / tert-butyl N-(4-bromo-2-methylphenyl)carbamate
Basic Information
CAS
306937-14-4
Multi CAS
Yes
Molecular Formula
BC12H16O2Rn
Molecular Weight
286.160000
Exact Mass
285.036440
InChI
InChI=1S/C12H16BrNO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey
ZMUXMKPOXRAYSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.74
TPSA
38.33
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
3.4
Consensus LogP
3.71
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
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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