![CAS 34411-77-3 DIMETHYL[4-[1,7,7-TRIS(4-DIMETHYLAMINOPHENYL)-2,4,6-HEPTATRIENYLIDENE]-2,5-CYCLOHEXADIEN-1-YLIDENE]AMMONIUM PERCHLORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34411-77-3.gif)
CAS RN: 34411-77-3
DIMETHYL[4-[1,7,7-TRIS(4-DIMETHYLAMINOPHENYL)-2,4,6-HEPTATRIENYLIDENE]-2,5-CYCLOHEXADIEN-1-YLIDENE]AMMONIUM PERCHLORATE
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.20250515 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34411-77-3
- Purity/Analytical Methods: >99.0%
34411-77-3 / dimethyl-[4-[(2E,4E)-1,7,7-tris[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]cyclohexa-2,5-dien-1-ylidene]azanium perchlorate
Basic Information
CAS
34411-77-3
Multi CAS
No
Molecular Formula
C39H45CLN4O4
Molecular Weight
669.200000
Exact Mass
668.312934
InChI
InChI=1S/C39H45N4.ClHO4/c1-40(2)34-22-14-30(15-23-34)38(31-16-24-35(25-17-31)41(3)4)12-10-9-11-13-39(32-18-26-36(27-19-32)42(5)6)33-20-28-37(29-21-33)43(7)8;2-1(3,4)5/h9-29H,1-8H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
WEIPOKGKSDINKW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
189.98
TPSA
104.97
LogP / Solubility
WLOGP
2.97
MLOGP
2.67
XLogP3
2.97
Consensus LogP
2.87
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
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)
-4.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-
- CAS RN: 34415-10-6
- Product Code: SSC-140853
-
4-METHYL-2-PYRIDIN-2-YL-1,3-THIAZOLE-5-CARBOXYLIC ACID
- CAS RN: 34418-48-9
- Product Code: SSC-140854
-
N,2-Dimethyl-N-nitroso-1-propanamine
- CAS RN: 34419-76-6
- Product Code: starshine_CAS34419-76-6
- Purity/Analytical method: >99.0%
-
Lathyrol
- CAS RN: 34420-19-4
- Product Code: starshine_CAS34420-19-4
- Purity/Analytical method: >99.0%
-
kaurene
- CAS RN: 34424-57-2
- Product Code: starshine_CAS34424-57-2
- Purity/Analytical method: >99.0%
-
[[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside
- CAS RN: 34425-25-7
- Product Code: starshine_CAS34425-25-7
- Purity/Analytical method: >99.0%
![CAS 34425-25-7 [[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34425-25-7.gif)