![CAS 1032508-03-4 1-[2-(4-Chloro-phenyl)-vinyl]-3,5-diMethoxy-benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92605406.gif)
CAS RN: 1032508-03-4
1-[2-(4-Chloro-phenyl)-vinyl]-3,5-diMethoxy-benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 5mg / 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1032508-03-4
- Purity/Analytical Methods: >99.0%
1032508-03-4 / 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxybenzene
PDM11 | PDM-11 | 1-(4-Chlorostyryl)-3,5-dimethoxybenzene
Basic Information
CAS
1032508-03-4
Multi CAS
Yes
Molecular Formula
C16H15ClO2
Molecular Weight
274.740000
Exact Mass
274.076057
SMILES
COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C16H15ClO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
InChIKey
VPHHOTWBLKKBBT-ONEGZZNKSA-N
Synonyms
PDM11
PDM-11
1-(4-Chlorostyryl)-3,5-dimethoxybenzene
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxybenzene
1-[2-(4-Chloro-phenyl)-vinyl]-3,5-diMethoxy-benzene
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
79.93
TPSA
18.46
LogP / Solubility
WLOGP
4.53
MLOGP
3.99
XLogP3
4.8
Consensus LogP
4.44
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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