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 |
59142-63-1 / (2-bromophenyl)-(4-methoxyphenyl)methanone
Basic Information
CAS
59142-63-1
Multi CAS
No
Molecular Formula
C14H11BRO2
Molecular Weight
291.140000
Exact Mass
289.994240
InChI
InChI=1S/C14H11BrO2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKey
KAQIWWJREILQAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
70.57
TPSA
26.3
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.9
Consensus LogP
3.62
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN
- CAS RN: 59146-56-4
- Product Code: starshine_CAS59146-56-4
- Purity/Analytical method: >99.0%
-
1H-Pyrrole-3-carbonitrile,2-amino-4-methyl-(9CI)
- CAS RN: 59146-60-0
- Product Code: SSC-167552
-
-
-
