![CAS 1440-00-2 1,3-Benzenediol, 4,4′-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440-00-2.gif)
CAS RN: 1440-00-2
1,3-Benzenediol, 4,4′-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250217 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250611 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250222 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250608 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-055266
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1440-00-2 / 4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
Basic Information
CAS
1440-00-2
Multi CAS
No
Molecular Formula
C22H17N3O5
Molecular Weight
403.400000
Exact Mass
403.116821
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C22H17N3O5/c1-30-15-6-2-12(3-7-15)20-23-21(16-8-4-13(26)10-18(16)28)25-22(24-20)17-9-5-14(27)11-19(17)29/h2-11,26-29H,1H3
InChIKey
JLUNJUVGBLZKPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
109.35
TPSA
128.82
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
