CAS RN: 31458-17-0
4,4′-Dibromo-2,2′-dimethylbiphenyl
- Product code: starshine_CAS31458-17-0
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 | Shenzhen | Inquiry |
31458-17-0 / 4-bromo-1-(4-bromo-2-methylphenyl)-2-methylbenzene
Basic Information
CAS
31458-17-0
Multi CAS
No
Molecular Formula
C14H12BR2
Molecular Weight
340.050000
Exact Mass
339.928530
InChI
InChI=1S/C14H12Br2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKey
HEGPQHVSIHVFIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
76.75
TPSA
0.0000
LogP / Solubility
WLOGP
5.5
MLOGP
4.85
XLogP3
5.7
Consensus LogP
5.35
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
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)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
GLY-LYS HYDROCHLORIDE
- CAS RN: 31461-63-9
- Product Code: starshine_CAS31461-63-9
- Purity/Analytical method: >99.0%
-
-
-
-
