CAS RN: 62541-59-7
7-NITRO-3,4-DIHYDROISOQUINOLINE
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.20260119 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62541-59-7
- Purity/Analytical Methods: >99.0%
62541-59-7 / 7-nitro-3,4-dihydroisoquinoline
Basic Information
CAS
62541-59-7
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKey
GVHORNVRKMSZLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.26
TPSA
55.5
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid(SALTDATA: FREE)
- CAS RN: 62542-44-3
- Product Code: SSC-171748
-
1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole 97%
- CAS RN: 62546-27-4
- Product Code: SSC-171760
-
5-(4-CHLORO-PHENYLSULFAMOYL)-2-HYDROXY-BENZOIC ACID
- CAS RN: 62547-11-9
- Product Code: SSC-171761
-
-
3-hydroxy-N-(3-methoxyphenyl)-2-Naphthalenecarboxamide
- CAS RN: 62553-86-0
- Product Code: starshine_CAS62553-86-0
- Purity/Analytical method: >99.0%
-
