CAS RN: 1807534-84-4
Ald–Ph-PEG2-acid
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.20251206 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1807534-84-4
- Purity/Analytical Methods: >99.0%
1807534-84-4 / 3-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1807534-84-4
Multi CAS
No
Molecular Formula
C15H19NO6
Molecular Weight
309.310000
Exact Mass
309.121237
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCC(=O)O
InChI
InChI=1S/C15H19NO6/c17-11-12-1-3-13(4-2-12)15(20)16-6-8-22-10-9-21-7-5-14(18)19/h1-4,11H,5-10H2,(H,16,20)(H,18,19)
InChIKey
SMXKUAVAORJSAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.05
TPSA
101.93
LogP / Solubility
WLOGP
0.74
MLOGP
0.66
XLogP3
-0.1
Consensus LogP
0.43
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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