CAS RN: 1323407-17-5
Methyl 2-(Bromomethyl)-3-((Tert-Butyldimethylsilyl)Oxy)Benzoate
- Product code: SSC-039281
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 |
1323407-17-5 / methyl 2-(bromomethyl)-3-[tert-butyl(dimethyl)silyl]oxybenzoate
Basic Information
CAS
1323407-17-5
Multi CAS
No
Molecular Formula
C15H23BrO3Si
Molecular Weight
359.330000
Exact Mass
358.059980
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1CBr)C(=O)OC
InChI
InChI=1S/C15H23BrO3Si/c1-15(2,3)20(5,6)19-13-9-7-8-11(12(13)10-16)14(17)18-4/h7-9H,10H2,1-6H3
InChIKey
YOPIDFXZGOIPLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
88.24
TPSA
35.53
LogP / Solubility
WLOGP
4.75
MLOGP
4.2
XLogP3
4.75
Consensus LogP
4.57
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1323417-56-6 (3AR,5r,6aS)-rel-Octahydrocyclopenta-[c]pyrrol-5-ol hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3AR,5r,6aS)-rel-Octahydrocyclopenta-[c]pyrrol-5-ol hydrochloride
- CAS RN: 1323417-56-6
- Product Code: SSC-039283
-
14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide
- CAS RN: 1323952-04-0
- Product Code: starshine_CAS1323952-04-0
- Purity/Analytical method: >99.0%
-
4-Fluoro-2-(trifluoroMethoxy)benzyl broMide
- CAS RN: 1323966-22-8
- Product Code: SSC-039312
-
-
S1P1 Agonist III
- CAS RN: 1324003-64-6
- Product Code: starshine_CAS1324003-64-6
- Purity/Analytical method: >99.0%
-
β-D-Glucopyranoside,(3β,6α,16β,20R,24S)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-20, 24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl
- CAS RN: 1324005-51-7
- Product Code: starshine_CAS1324005-51-7
- Purity/Analytical method: >99.0%
![CAS 1323417-56-6 (3AR,5r,6aS)-rel-Octahydrocyclopenta-[c]pyrrol-5-ol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1323417-56-6.gif)
![CAS 1324005-51-7 β-D-Glucopyranoside,(3β,6α,16β,20R,24S)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-20, 24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1324005-51-7.gif)