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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
863870-72-8 / (3-bromophenyl) N,N-diethylcarbamate
Basic Information
CAS
863870-72-8
Multi CAS
No
Molecular Formula
BC11H14O2Rn
Molecular Weight
272.140000
Exact Mass
271.020790
InChI
InChI=1S/C11H14BrNO2/c1-3-13(4-2)11(14)15-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3
InChIKey
HJIRWRKJRSHXBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.09
TPSA
29.54
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-2.04
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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1H-BenziMidazole-1-carboxylic acid, 5-Methyl-, 1,1-diMethylethyl ester
- CAS RN: 863877-81-0
- Product Code: starshine_CAS863877-81-0
- Purity/Analytical method: >99.0%
