CAS RN: 2185016-39-9
TCO-PEG12-NHS Ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260628 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS2185016-39-9
- Purity/Analytical Methods: >99.0%
2185016-39-9 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2185016-39-9
Multi CAS
No
Molecular Formula
C40H70N2O18
Molecular Weight
867.000000
Exact Mass
866.462363
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C40H70N2O18/c43-37-8-9-38(44)42(37)60-39(45)10-12-47-14-16-49-18-20-51-22-24-53-26-28-55-30-32-57-34-35-58-33-31-56-29-27-54-25-23-52-21-19-50-17-15-48-13-11-41-40(46)59-36-6-4-2-1-3-5-7-36/h1-2,36H,3-35H2,(H,41,46)/b2-1-
InChIKey
NVOXZBGFZZFRHC-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Fraction Csp3
0.85
Rotatable bonds
41
H-bond acceptors
18
H-bond donors
1
Molar refractivity
212.12
TPSA
212.77
LogP / Solubility
WLOGP
1.8
MLOGP
1.66
XLogP3
-0.6
Consensus LogP
0.95
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.71
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.73
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
4.5
Customers Also Viewed
-
Taikuguasin D aglycon
- CAS RN: 2185847-09-8
- Product Code: starshine_CAS2185847-09-8
- Purity/Analytical method: >99.0%
-
-
-
(1R,2R)-2-(benzylamino)-1-methylcyclopentan-1-ol
- CAS RN: 2185860-14-2
- Product Code: SSC-105308
-
Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(methylthio)-
- CAS RN: 2185860-74-4
- Product Code: starshine_CAS2185860-74-4
- Purity/Analytical method: >99.0%
-
“3α-Cinnamoyloxy-9β,17-dihydroxy-ent-kaur-15-en-19-oic acid”
- CAS RN: 2186648-60-0
- Product Code: starshine_CAS2186648-60-0
- Purity/Analytical method: >99.0%
![CAS 2185860-74-4 Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(methylthio)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2185860-74-4.png)
