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 | Shenzhen | Inquiry |
3752-97-4 / 1,4-bis(chloromethyl)-2,5-dimethoxybenzene
Basic Information
CAS
3752-97-4
Multi CAS
Yes
Molecular Formula
C10H12CL2O2
Molecular Weight
235.100000
Exact Mass
234.021435
InChI
InChI=1S/C10H12Cl2O2/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-4H,5-6H2,1-2H3
InChIKey
GEUWDCJVDLHSNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
58.66
TPSA
18.46
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.6
Consensus LogP
2.86
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
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
![CAS 17938-13-5 1,4-Bis[(trimethylsilyl)ethynyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/17938-13-5.png)
![CAS 7221-63-8 Benzo[1,2-d :4,5-d’]bistriazole, 1,5-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/7221-63-8.png)
