[email protected]
CAS 1187385-96-1 4-(5-Bromo-4-methyl-2-pyridinyl)morpholine molecular structure lightbox
CAS RN: 1187385-96-1

4-(5-Bromo-4-methyl-2-pyridinyl)morpholine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1187385-96-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1187385-96-1 / 4-(5-bromo-4-methyl-2-pyridinyl)morpholine

4-(5-bromo-4-methylpyridin-2-yl)morpholine | 5-Bromo-2-morpholino-4-picoline | 4-(5-BROMO-4-METHYL-2-PYRIDINYL)MORPHOLINE

Standard CAS: 1187385-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187385-96-1
Multi CAS
No
Molecular Formula
C10H13BrN2O
Molecular Weight
257.130000
Exact Mass
256.021130
SMILES
CC1=CC(=NC=C1Br)N2CCOCC2
InChI
InChI=1S/C10H13BrN2O/c1-8-6-10(12-7-9(8)11)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
InChIKey
OGFCWGDHSGDUNY-UHFFFAOYSA-N
Synonyms
4-(5-bromo-4-methylpyridin-2-yl)morpholine 5-Bromo-2-morpholino-4-picoline 4-(5-BROMO-4-METHYL-2-PYRIDINYL)MORPHOLINE MFCD12546513 SCHEMBL1460126

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.71
TPSA
25.36

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us