CAS RN: 129086-11-9
Tosylate of Hexaethylene glycol monobenzyl ether
- Product code: SSC-036279
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
129086-11-9 / 2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
129086-11-9
Multi CAS
No
Molecular Formula
C26H38O9S
Molecular Weight
526.600000
Exact Mass
526.223654
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCC2=CC=CC=C2
InChI
InChI=1S/C26H38O9S/c1-24-7-9-26(10-8-24)36(27,28)35-22-21-33-18-17-31-14-13-29-11-12-30-15-16-32-19-20-34-23-25-5-3-2-4-6-25/h2-10H,11-23H2,1H3
InChIKey
ISGUVDRQXACIEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
22
H-bond acceptors
9
Molar refractivity
134.51
TPSA
98.75
LogP / Solubility
WLOGP
3
MLOGP
2.68
XLogP3
2.2
Consensus LogP
2.63
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl
- CAS RN: 129095-76-7
- Product Code: starshine_CAS129095-76-7
- Purity/Analytical method: >99.0%
-
-
(R)-2-((4-BROMOPHENOXY)METHYL)OXIRANE
- CAS RN: 129098-56-2
- Product Code: starshine_CAS129098-56-2
- Purity/Analytical method: >99.0%
-
Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-
- CAS RN: 129101-25-3
- Product Code: SSC-036285
-
2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2S)-
- CAS RN: 129101-36-6
- Product Code: starshine_CAS129101-36-6
- Purity/Analytical method: >99.0%
-
(R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylicacid
- CAS RN: 129101-37-7
- Product Code: SSC-036286
![CAS 129101-25-3 Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129101-25-3.gif)
