CAS RN: 444930-42-1
PCNA-I1
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS444930-42-1
- Purity/Analytical Methods: >99.0%
444930-42-1 / N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylthiophene-2-carboxamide
Basic Information
CAS
444930-42-1
Multi CAS
Yes
Molecular Formula
C17H14N2O2S
Molecular Weight
310.400000
Exact Mass
310.077599
InChI
InChI=1S/C17H14N2O2S/c1-11-8-9-22-16(11)17(21)19-18-10-13-7-6-12-4-2-3-5-14(12)15(13)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKey
NZWTWRNHYZNWNW-VCHYOVAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.73
TPSA
61.69
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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