CAS RN: 1173023-92-1
Leuco Gentian Violet-d6
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.20260514 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1173023-92-1
- Purity/Analytical Methods: >99.0%
1173023-92-1 / 4-[[4-[bis(trideuteriomethyl)amino]phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Leucocrystal Violet-d6 | DTXSID30705475 | RefChem:1088427
Basic Information
CAS
1173023-92-1
Multi CAS
Yes
Molecular Formula
C25H31N3
Molecular Weight
379.600000
Exact Mass
379.289458
SMILES
[2H]C([2H])([2H])N(C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3/i1D3,2D3
InChIKey
OAZWDJGLIYNYMU-WFGJKAKNSA-N
Synonyms
Leucocrystal Violet-d6
DTXSID30705475
RefChem:1088427
DTXCID00656223
Leuco Gentian Violet-d6
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
123.25
TPSA
9.72
LogP / Solubility
WLOGP
5.06
MLOGP
4.48
XLogP3
5.7
Consensus LogP
5.08
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Sodium 1-Benzyl-1H-imidazole-2-carboxylate
- CAS RN: 1173026-41-9
- Product Code: starshine_CAS1173026-41-9
- Purity/Analytical method: >99.0%
-
1-(2,2-difluoroethyl)-1H-pyrazole
- CAS RN: 1173030-07-3
- Product Code: starshine_CAS1173030-07-3
- Purity/Analytical method: >99.0%
-
BenzeneMethanaMine, 4-broMo-a,a-diMethyl-, hydrochloride
- CAS RN: 1173047-86-3
- Product Code: SSC-017168
-
(2S,6S)-2,6-di-tert-butyl-1,2,3,5,6,7-hexahydroiMidazo[1,2-a]iMidazol-4-iuM iodide
- CAS RN: 1173050-17-3
- Product Code: starshine_CAS1173050-17-3
- Purity/Analytical method: >99.0%
-
1-(2-Piperidin-1-ylethyl)-1H-pyrazol-4-amine dihydrochloride
- CAS RN: 1173069-63-0
- Product Code: SSC-017169
-
4-(4-ISOPROPYLPHENOXY)PIPERIDINE HYDROCHLORIDE
- CAS RN: 1173079-45-2
- Product Code: SSC-017171
![CAS 1173050-17-3 (2S,6S)-2,6-di-tert-butyl-1,2,3,5,6,7-hexahydroiMidazo[1,2-a]iMidazol-4-iuM iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173050-17-3.gif)
