CAS RN: 1427521-39-8
RCS-4 N-(5-carboxypentyl) metabolite
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.20251227 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427521-39-8
- Purity/Analytical Methods: >99.0%
1427521-39-8 / 5-[3-(4-methoxybenzoyl)indol-1-yl]pentanoic acid
Basic Information
CAS
1427521-39-8
Multi CAS
No
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
SMILES
COC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCCCC(=O)O
InChI
InChI=1S/C21H21NO4/c1-26-16-11-9-15(10-12-16)21(25)18-14-22(13-5-4-8-20(23)24)19-7-3-2-6-17(18)19/h2-3,6-7,9-12,14H,4-5,8,13H2,1H3,(H,23,24)
InChIKey
CJXFWFGLGOBGBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.85
TPSA
68.53
LogP / Solubility
WLOGP
4.14
MLOGP
3.66
XLogP3
3.5
Consensus LogP
3.77
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.93
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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