CAS RN: 1241962-11-7
BHQ-2 amine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: starshine_CAS1241962-11-7
- Purity/Analytical Methods: >99.0%
1241962-11-7 / N'-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]-N'-methylpropane-1,3-diamine
Basic Information
CAS
1241962-11-7
Multi CAS
No
Molecular Formula
C24H27N7O4
Molecular Weight
477.500000
Exact Mass
477.212452
SMILES
CN(CCCN)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C24H27N7O4/c1-30(14-4-13-25)19-9-5-17(6-10-19)26-28-21-15-24(35-3)22(16-23(21)34-2)29-27-18-7-11-20(12-8-18)31(32)33/h5-12,15-16H,4,13-14,25H2,1-3H3
InChIKey
MFSYUHISYKRVDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
1
Molar refractivity
134.38
TPSA
140.3
LogP / Solubility
WLOGP
6.23
MLOGP
5.51
XLogP3
4.8
Consensus LogP
5.51
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
4-bromoquinoline-7-carbonitrile
- CAS RN: 1242063-18-8
- Product Code: starshine_CAS1242063-18-8
- Purity/Analytical method: >99.0%
-
R-3,3′-bis(1-Naphthyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 1242066-20-1
- Product Code: SSC-028048
-
-
![CAS 1242077-07-1 2,6-Bis(trimethylstannyl)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1242077-07-1.gif)
2,6-Bis(trimethylstannyl)benzo[1,2-b:4,5-b’]dithiophene
- CAS RN: 1242077-07-1
- Product Code: starshine_CAS1242077-07-1
- Purity/Analytical method: >99.0%
-
COF-LZU-1
- CAS RN: 1242082-12-7
- Product Code: starshine_CAS1242082-12-7
- Purity/Analytical method: >99.0%