![CAS 400825-71-0 (4-[(4-BROMOBENZYL)OXY]PHENYL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5254596.gif)
CAS RN: 400825-71-0
(4-[(4-BROMOBENZYL)OXY]PHENYL)METHANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS400825-71-0
- Purity/Analytical Methods: >99.0%
400825-71-0 / [4-[(4-bromophenyl)methoxy]phenyl]methanol
Basic Information
CAS
400825-71-0
Multi CAS
No
Molecular Formula
C14H13BRO2
Molecular Weight
293.150000
Exact Mass
292.009890
InChI
InChI=1S/C14H13BrO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,16H,9-10H2
InChIKey
OTVMJMAYIKRTIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.84
TPSA
29.46
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
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)
-2.01
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
-
TAK 599
- CAS RN: 400827-46-5
- Product Code: starshine_CAS400827-46-5
- Purity/Analytical method: >99.0%
-
ceftaroline fosamil acetate monohydrate
- CAS RN: 400827-55-6
- Product Code: starshine_CAS400827-55-6
- Purity/Analytical method: >99.0%
-
7 β – aMino – 3 – [4 – pyridyl – 2 – thiazole sulfur radical ] – 3 – cepheM – 4 – carboxylic acid ·2HCl
- CAS RN: 400827-64-7
- Product Code: SSC-148027
-
tert-butyl 4-(indolin-1-yl)piperidine-1-carboxylate
- CAS RN: 400828-91-3
- Product Code: starshine_CAS400828-91-3
- Purity/Analytical method: >99.0%
-
1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLIC ACID ETHYL ESTER
- CAS RN: 400840-94-0
- Product Code: SSC-148028
-
Mesosulfuron [iso]
- CAS RN: 400852-66-6
- Product Code: starshine_CAS400852-66-6
- Purity/Analytical method: >99.0%
![CAS 400827-64-7 7 β – aMino – 3 – [4 – pyridyl – 2 – thiazole sulfur radical ] – 3 – cepheM – 4 – carboxylic acid ·2HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/400827-64-7.gif)
![CAS 400852-66-6 Mesosulfuron [iso] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/400852-66-6.gif)