CAS RN: 649553-07-1
4-(4-(HydroxyMethyl)phenoxy)phthalonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-174605
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 | Shanghai | Inquiry |
649553-07-1 / 4-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile
Basic Information
CAS
649553-07-1
Multi CAS
No
Molecular Formula
C15H10N2O2
Molecular Weight
250.250000
Exact Mass
250.074228
InChI
InChI=1S/C15H10N2O2/c16-8-12-3-6-15(7-13(12)9-17)19-14-4-1-11(10-18)2-5-14/h1-7,18H,10H2
InChIKey
NCTXRQVAZBODIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.31
TPSA
77.04
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2
Consensus LogP
2.37
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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