CAS RN: 1199773-09-5
4-(5-Bromo-3-chloropyridin-2-yl)morpholine
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-020729
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1199773-09-5 / 4-(5-bromo-3-chloro-2-pyridinyl)morpholine
4-(5-BROMO-3-CHLOROPYRIDIN-2-YL)MORPHOLINE | 4-(5-Bromo-3-Chloro-2-Pyridinyl)Morpholine | MFCD13195777
Basic Information
CAS
1199773-09-5
Multi CAS
No
Molecular Formula
C9H10BrClN2O
Molecular Weight
277.540000
Exact Mass
275.966500
SMILES
C1COCCN1C2=C(C=C(C=N2)Br)Cl
InChI
InChI=1S/C9H10BrClN2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKey
RIPNXWDOUNUVSM-UHFFFAOYSA-N
Synonyms
4-(5-BROMO-3-CHLOROPYRIDIN-2-YL)MORPHOLINE
4-(5-Bromo-3-Chloro-2-Pyridinyl)Morpholine
MFCD13195777
Morpholine, 4-(5-bromo-3-chloro-2-pyridinyl)-
4-(5-Bromo-3-chloro-2-pyridyl)morpholine
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.98
TPSA
25.36
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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