CAS RN: 1201226-16-5
(5-(ethylamino)-5-oxopentyl)triphenylphosphonium bromide
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.20250219 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1201226-16-5
- Purity/Analytical Methods: >99.0%
1201226-16-5 / [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide
(5-(Ethylamino)-5-oxopentyl)triphenylphosphonium bromide | [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium;bromide | (5-Ethylamino-5-oxopentyl)triphenylphosphonium bromide
Basic Information
CAS
1201226-16-5
Multi CAS
Yes
Molecular Formula
C25H29BrNOP
Molecular Weight
470.400000
Exact Mass
469.117010
SMILES
CCNC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C25H28NOP.BrH/c1-2-26-25(27)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,2,12-13,20-21H2,1H3;1H
InChIKey
AGIMDSXEQYKHQU-UHFFFAOYSA-N
Synonyms
(5-(Ethylamino)-5-oxopentyl)triphenylphosphonium bromide
[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium;bromide
(5-Ethylamino-5-oxopentyl)triphenylphosphonium bromide
Bimatoprost Impurity G
SCHEMBL1837602
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
122.55
TPSA
29.1
LogP / Solubility
WLOGP
1.29
MLOGP
1.17
XLogP3
1.29
Consensus LogP
1.25
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly 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)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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