CAS RN: 14513-15-6
Cambinol
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250819 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251211 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250922 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251120 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260508 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250114 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTC3535
- Purity/Analytical Methods: >98.0%(HPLC)
14513-15-6 / 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
Basic Information
CAS
14513-15-6
Multi CAS
No
Molecular Formula
C21H16N2O2S
Molecular Weight
360.400000
Exact Mass
360.093249
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
InChIKey
RVNSQVIUFZVNAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
106.1
TPSA
68.88
LogP / Solubility
WLOGP
4.55
MLOGP
4.02
XLogP3
4.1
Consensus LogP
4.22
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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