CAS RN: 81935-60-6
7-CHLORO-10-(4-HYDROXYANILINO)-2-METHOXY BENZO(B)-1,5-NAPHTHY RIDINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250512 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS81935-60-6
- Purity/Analytical Methods: >99.0%
81935-60-6 / 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]phenol
Basic Information
CAS
81935-60-6
Multi CAS
No
Molecular Formula
C19H14CLN3O2
Molecular Weight
351.800000
Exact Mass
351.077454
InChI
InChI=1S/C19H14ClN3O2/c1-25-17-9-8-15-19(23-17)18(21-12-3-5-13(24)6-4-12)14-7-2-11(20)10-16(14)22-15/h2-10,24H,1H3,(H,21,22)
InChIKey
OHLFWLUPLZLCGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100
TPSA
67.27
LogP / Solubility
WLOGP
4.89
MLOGP
4.33
XLogP3
4.7
Consensus LogP
4.64
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.39
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
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