CAS RN: 1799980-22-5
2-((4-methoxybenzyloxy)methyl)-4-bromo-1-methylbenzene
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.20250217 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-080391
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 |
1799980-22-5 / 4-bromo-2-[(4-methoxyphenyl)methoxymethyl]-1-methylbenzene
Basic Information
CAS
1799980-22-5
Multi CAS
No
Molecular Formula
C16H17BrO2
Molecular Weight
321.210000
Exact Mass
320.041190
SMILES
CC1=C(C=C(C=C1)Br)COCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H17BrO2/c1-12-3-6-15(17)9-14(12)11-19-10-13-4-7-16(18-2)8-5-13/h3-9H,10-11H2,1-2H3
InChIKey
VSMYADGVSKXAPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
80.37
TPSA
18.46
LogP / Solubility
WLOGP
4.48
MLOGP
3.96
XLogP3
4.1
Consensus LogP
4.18
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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)
-1.5
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
-
3-O-Debenzoylzeylenone
- CAS RN: 1800008-77-8
- Product Code: starshine_CAS1800008-77-8
- Purity/Analytical method: >99.0%
-
N- (2-chlorophenyl) -7-phenyl-7H-benzocarbazole-9-amine
- CAS RN: 1800022-01-8
- Product Code: starshine_CAS1800022-01-8
- Purity/Analytical method: >99.0%
-
![CAS 1800022-02-9 Benz[g]indolo[2,3-b]carbazole, 7,9-dihydro-7-phenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1800022-02-9.gif)
Benz[g]indolo[2,3-b]carbazole, 7,9-dihydro-7-phenyl
- CAS RN: 1800022-02-9
- Product Code: SSC-080405
-
MGAT2-IN-1
- CAS RN: 1800025-30-2
- Product Code: starshine_CAS1800025-30-2
- Purity/Analytical method: >99.0%
-
Cynanoside F
- CAS RN: 1800029-50-8
- Product Code: starshine_CAS1800029-50-8
- Purity/Analytical method: >99.0%
-
(Z)-N-(1-Chloro-1-(2-cyanophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide
- CAS RN: 1800044-75-0
- Product Code: starshine_CAS1800044-75-0
- Purity/Analytical method: >99.0%