CAS RN: 69011-22-9
DOWEX(R) HCR-W2
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69011-22-9
- Purity/Analytical Methods: >99.0%
69011-22-9 / sodium;1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene;styrene
Basic Information
CAS
69011-22-9
Multi CAS
No
Molecular Formula
C28H29NA
Molecular Weight
388.500000
Exact Mass
388.216695
InChI
InChI=1S/C10H11.C10H10.C8H8.Na/c2*1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;/h3,5-8H,1-2,4H2;3-8H,1-2H2;2-7H,1H2;/q-1;;;+1
InChIKey
NEQWAZPDMBONCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
128.75
TPSA
0.0000
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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