CAS RN: 1123194-96-6
N-(6-bromo-2-methoxypyridin-3-yl)formamide
- Product code: SSC-012781
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 | Hong Kong | Inquiry |
1123194-96-6 / N-(6-bromo-2-methoxy-3-pyridinyl)formamide
N-(6-bromo-2-methoxypyridin-3-yl)formamide | N-(6-bromo-2-methoxy-3-pyridinyl)Formamide | MFCD25955662
Basic Information
CAS
1123194-96-6
Multi CAS
No
Molecular Formula
C7H7BrN2O2
Molecular Weight
231.050000
Exact Mass
229.969090
SMILES
COC1=C(C=CC(=N1)Br)NC=O
InChI
InChI=1S/C7H7BrN2O2/c1-12-7-5(9-4-11)2-3-6(8)10-7/h2-4H,1H3,(H,9,11)
InChIKey
DTMJHPVHGALCJH-UHFFFAOYSA-N
Synonyms
N-(6-bromo-2-methoxypyridin-3-yl)formamide
N-(6-bromo-2-methoxy-3-pyridinyl)Formamide
MFCD25955662
SCHEMBL154070
DTMJHPVHGALCJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.18
TPSA
51.22
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.4
Consensus LogP
1.36
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.12
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
-
N-(6-bromo-2-methoxypyridin-3-yl)-N-(2-oxopropyl)formamide
- CAS RN: 1123194-97-7
- Product Code: SSC-012782
-
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%
![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)
