CAS RN: 2110449-01-7
Ald-Ph-PEG3-O-NH-Boc
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.20250526 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2110449-01-7
- Purity/Analytical Methods: >99.0%
2110449-01-7 / tert-butyl N-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Basic Information
CAS
2110449-01-7
Multi CAS
No
Molecular Formula
C21H32N2O8
Molecular Weight
440.500000
Exact Mass
440.215866
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C21H32N2O8/c1-21(2,3)31-20(26)23-30-15-14-29-13-12-28-11-10-27-9-8-22-19(25)18-6-4-17(16-24)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKey
HPQOIZCKUNSTRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
2
Molar refractivity
111.94
TPSA
121.42
LogP / Solubility
WLOGP
1.74
MLOGP
1.56
XLogP3
1
Consensus LogP
1.43
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.18
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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