CAS RN: 1123194-97-7
N-(6-bromo-2-methoxypyridin-3-yl)-N-(2-oxopropyl)formamide
- Product code: SSC-012782
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 |
1123194-97-7 / N-(6-bromo-2-methoxy-3-pyridinyl)-N-(2-oxopropyl)formamide
N-(6-bromo-2-methoxypyridin-3-yl)-N-(2-oxopropyl)formamide | MFCD30471902 | SCHEMBL194789
Basic Information
CAS
1123194-97-7
Multi CAS
No
Molecular Formula
C10H11BrN2O3
Molecular Weight
287.110000
Exact Mass
285.995300
SMILES
CC(=O)CN(C=O)C1=C(N=C(C=C1)Br)OC
InChI
InChI=1S/C10H11BrN2O3/c1-7(15)5-13(6-14)8-3-4-9(11)12-10(8)16-2/h3-4,6H,5H2,1-2H3
InChIKey
NOGAAFSXFIEXQA-UHFFFAOYSA-N
Synonyms
N-(6-bromo-2-methoxypyridin-3-yl)-N-(2-oxopropyl)formamide
MFCD30471902
SCHEMBL194789
NOGAAFSXFIEXQA-UHFFFAOYSA-N
SY126419
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
62.58
TPSA
59.5
LogP / Solubility
WLOGP
1.4
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-Bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)pyridine
- CAS RN: 1123194-98-8
- Product Code: SSC-012783
-
MAY-262611
- CAS RN: 1123231-07-1
- Product Code: starshine_CAS1123231-07-1
- Purity/Analytical method: >99.0%
-
8-benzyl-2,8-diazaspiro[4.5]decan-1-one
- CAS RN: 1123242-53-4
- Product Code: starshine_CAS1123242-53-4
- Purity/Analytical method: >99.0%
-
(2S,4S)-tert-butyl 4-aMino-2-(MethoxyMethyl)pyrrolidine-1-carboxylate
- CAS RN: 1123305-98-5
- Product Code: SSC-012786
-
5,7-Dimethoxy-3-(4-pyridinyl)quinoline dihydrochloride
- CAS RN: 1123491-15-5
- Product Code: starshine_CAS1123491-15-5
- Purity/Analytical method: >99.0%
-
(1S,2S)-2-(4-broMophenyl)cyclopropanecarboxylic acid
- CAS RN: 1123620-89-2
- Product Code: SSC-012796
![CAS 1123242-53-4 8-benzyl-2,8-diazaspiro[4.5]decan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1123242-53-4.gif)
