CAS RN: 79996-90-0
4-(HYDROXYMETHYL)NAPHTHALENE-1-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260420 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251029 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250606 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260226 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250911 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS79996-90-0
- Purity/Analytical Methods: >99.0%
79996-90-0 / 4-(hydroxymethyl)naphthalene-1-carbonitrile
Basic Information
CAS
79996-90-0
Multi CAS
No
Molecular Formula
C12H9NO
Molecular Weight
183.210000
Exact Mass
183.068414
InChI
InChI=1S/C12H9NO/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6,14H,8H2
InChIKey
PZKDOSHWQBLVJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.59
TPSA
44.02
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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