CAS RN: 78774-38-6
19-BROMONONADECANOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260110 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS78774-38-6
- Purity/Analytical Methods: >99.0%
78774-38-6 / 19-bromononadecanoic acid
Basic Information
CAS
78774-38-6
Multi CAS
Yes
Molecular Formula
C19H37BRO2
Molecular Weight
377.400000
Exact Mass
376.197690
InChI
InChI=1S/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)
InChIKey
FLMPHTLDVWMADF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.92
TPSA
37.3
LogP / Solubility
WLOGP
7.1
MLOGP
6.27
XLogP3
7.3
Consensus LogP
6.89
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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