CAS RN: 2358775-67-2
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2358775-67-2
- Purity/Analytical Methods: >99.0%
2358775-67-2 / 2-[5-[2-[5-(carboxymethoxy)pentoxy]ethoxy]pentoxy]acetic acid
Basic Information
CAS
2358775-67-2
Multi CAS
No
Molecular Formula
C16H30O8
Molecular Weight
350.400000
Exact Mass
350.194068
SMILES
C(CCOCCOCCCCCOCC(=O)O)CCOCC(=O)O
InChI
InChI=1S/C16H30O8/c17-15(18)13-23-9-5-1-3-7-21-11-12-22-8-4-2-6-10-24-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey
OAISFDJULXOPPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
19
H-bond acceptors
6
H-bond donors
2
Molar refractivity
86.25
TPSA
111.52
LogP / Solubility
WLOGP
1.56
MLOGP
1.39
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly 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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2359690-82-5 Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2359690-82-5.gif)
