CAS RN: 2182602-20-4
Mal-amido-PEG9-NHBoc
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.20260506 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2182602-20-4
- Purity/Analytical Methods: >99.0%
2182602-20-4 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2182602-20-4
Multi CAS
No
Molecular Formula
C32H57N3O14
Molecular Weight
707.800000
Exact Mass
707.384054
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI
InChI=1S/C32H57N3O14/c1-32(2,3)49-31(39)34-8-11-41-13-15-43-17-19-45-21-23-47-25-27-48-26-24-46-22-20-44-18-16-42-14-12-40-10-7-33-28(36)6-9-35-29(37)4-5-30(35)38/h4-5H,6-27H2,1-3H3,(H,33,36)(H,34,39)
InChIKey
VHRNVZPRNZMLFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.81
Rotatable bonds
33
H-bond acceptors
14
H-bond donors
2
Molar refractivity
175.09
TPSA
187.88
LogP / Solubility
WLOGP
0.09
MLOGP
0.14
XLogP3
-1.9
Consensus LogP
-0.56
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-6.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2182671-16-3 8H-Indeno[1,2-d]oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2182671-16-3.png)
