CAS RN: 20837-12-1
2-bromo-2′-methoxy-1,1′-Biphenyl
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-097969
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
20837-12-1 / 1-bromo-2-(2-methoxyphenyl)benzene
Basic Information
CAS
20837-12-1
Multi CAS
No
Molecular Formula
C13H11BrO
Molecular Weight
263.130000
Exact Mass
261.999330
SMILES
COC1=CC=CC=C1C2=CC=CC=C2Br
InChI
InChI=1S/C13H11BrO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2-9H,1H3
InChIKey
ZAQLWMUDNQIIJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.13
TPSA
9.23
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4.2
Consensus LogP
3.99
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
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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