CAS RN: 1216637-77-2
5-broMo-6-Morpholinonicotinicacid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1216637-77-2
- Purity/Analytical Methods: >99.0%
1216637-77-2 / 5-bromo-6-morpholin-4-ylpyridine-3-carboxylic acid
Basic Information
CAS
1216637-77-2
Multi CAS
No
Molecular Formula
C10H11BrN2O3
Molecular Weight
287.110000
Exact Mass
285.995300
SMILES
C1COCCN1C2=C(C=C(C=N2)C(=O)O)Br
InChI
InChI=1S/C10H11BrN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKey
CDPWXVYHWVBXED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.93
TPSA
62.66
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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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