CAS RN: 1800477-30-8
Iacs9571
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.20251218 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1800477-30-8
- Purity/Analytical Methods: >99.0%
1800477-30-8 / N-[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
Basic Information
CAS
1800477-30-8
Multi CAS
No
Molecular Formula
C32H42N4O8S
Molecular Weight
642.800000
Exact Mass
642.272335
SMILES
CCCOC1=CC(=CC(=C1)OC2=CC3=C(C=C2NS(=O)(=O)C4=CC(=C(C=C4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C
InChI
InChI=1S/C32H42N4O8S/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7/h11-12,16-21,33H,8-10,13-15H2,1-7H3
InChIKey
HYQBRUSSCIAOOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
21
Fraction Csp3
0.41
Rotatable bonds
16
H-bond acceptors
11
H-bond donors
1
Molar refractivity
174.1
TPSA
122.49
LogP / Solubility
WLOGP
5
MLOGP
4.45
XLogP3
4.5
Consensus LogP
4.65
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 1800490-20-3 [1,1′:3′,1”-Terphenyl]-4,4”-diamine, 5′-[4-amino-3,5-bis(1-methylethyl)phenyl]-3,3”,5,5”-tetrakis(1-methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1800490-20-3.gif)
