CAS RN: 1219178-72-9
Benzyldimethyltetradecylammonium-d7 Chloride
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.20250830 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1219178-72-9
- Purity/Analytical Methods: >99.0%
1219178-72-9 / [dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-dimethyl-tetradecylazanium chloride
Basic Information
CAS
1219178-72-9
Multi CAS
No
Molecular Formula
C23H42ClN
Molecular Weight
375.100000
Exact Mass
374.344515
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCC)[2H])[2H].[Cl-]
InChI
InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1/i15D,16D,17D,19D,20D,22D2;
InChIKey
OCBHHZMJRVXXQK-JKJUCWQGSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
108.2
TPSA
0.0000
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
3.97
Consensus LogP
3.82
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Fmoc-RS-2-methoxyphenylglycine
- CAS RN: 1219183-23-9
- Product Code: starshine_CAS1219183-23-9
- Purity/Analytical method: >99.0%
-
-
-
1-[1,1′-Biphenyl]-4-yl-2-(2,3-dihydro-9H-iMidazo[1,2-a]benziMidazol-9-yl)-ethanone HydrobroMide
- CAS RN: 1219184-91-4
- Product Code: starshine_CAS1219184-91-4
- Purity/Analytical method: >99.0%
-
5-Hydroxymethyl-2-furaldehyde-13C6
- CAS RN: 1219193-98-2
- Product Code: starshine_CAS1219193-98-2
- Purity/Analytical method: >99.0%
-
Methyl 5-broMo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
- CAS RN: 1219210-17-9
- Product Code: SSC-024760
![CAS 1219184-91-4 1-[1,1′-Biphenyl]-4-yl-2-(2,3-dihydro-9H-iMidazo[1,2-a]benziMidazol-9-yl)-ethanone HydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1219184-91-4.gif)
