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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1289387-96-7 / 2-bromo-4-(methoxymethyl)pyridine
Basic Information
CAS
1289387-96-7
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
COCC1=CC(=NC=C1)Br
InChI
InChI=1S/C7H8BrNO/c1-10-5-6-2-3-9-7(8)4-6/h2-4H,5H2,1H3
InChIKey
GIEVHFHVQIBIRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.65
TPSA
22.12
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-(4-Chloro-phenylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1289388-17-5
- Product Code: SSC-036150
-
2-[(1-Pyridin-2-yl-ethylaMino)-Methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1289388-55-1
- Product Code: starshine_CAS1289388-55-1
- Purity/Analytical method: >99.0%
-
(1R,4R)-N,N’-Bis-(4-Methyl-pyriMidin-2-yl)-cyclohexane-1,4-diaMine
- CAS RN: 1289388-61-9
- Product Code: starshine_CAS1289388-61-9
- Purity/Analytical method: >99.0%
-
(2-Chloro-thiazol-5-ylmethyl)-cyclopropyl-amine
- CAS RN: 1289388-63-1
- Product Code: SSC-036151
-
Bis(3-sulfonatophenyl)(4-trifluoroMethylphenyl)phosphine disodiuM dihydrate, Min. 97% p-DANPHOS
- CAS RN: 1289463-79-1
- Product Code: SSC-036156
![CAS 1289388-55-1 2-[(1-Pyridin-2-yl-ethylaMino)-Methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42578707.gif)
