![CAS 1216475-21-6 RAC-N-BENZYL-N-[2-HYDROXYL-2-(4-BENZYLOXY-3-NITROPHENYL)-ETHYL]-3-(4-METHOXYPHENYL)-2-PROPYLAMINE-D6 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216475-21-6.gif)
CAS RN: 1216475-21-6
RAC-N-BENZYL-N-[2-HYDROXYL-2-(4-BENZYLOXY-3-NITROPHENYL)-ETHYL]-3-(4-METHOXYPHENYL)-2-PROPYLAMINE-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.20260415 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1216475-21-6
- Purity/Analytical Methods: >99.0%
1216475-21-6 / 2-[benzyl-[1,1,1,2,3,3-hexadeuterio-3-(4-methoxyphenyl)propan-2-yl]amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanol
Basic Information
CAS
1216475-21-6
Multi CAS
No
Molecular Formula
C32H34N2O5
Molecular Weight
532.700000
Exact Mass
532.284433
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])C1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C32H34N2O5/c1-24(19-25-13-16-29(38-2)17-14-25)33(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(20-28)34(36)37)39-23-27-11-7-4-8-12-27/h3-18,20,24,31,35H,19,21-23H2,1-2H3/i1D3,19D2,24D
InChIKey
STIBLONETZHESW-LGZFOOLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
151.84
TPSA
85.07
LogP / Solubility
WLOGP
6.35
MLOGP
5.63
XLogP3
6.3
Consensus LogP
6.09
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
![CAS 1216475-30-7 8-bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
- CAS RN: 1216475-30-7
- Product Code: SSC-024293
-
2-(2,4-Dichlorophenyl)propan-2-amine hydrochloride
- CAS RN: 1216497-60-7
- Product Code: SSC-024296
-
-
RAC-N-BENZYL-N-[2-HYDROXYL-2-(4-BENZYLOXY-3-FORMAMIDOPHENYL)-ETHYL]-3-(4-METHOXYPHENYL)-2-PROPYLAMINE-D6
- CAS RN: 1216518-77-2
- Product Code: starshine_CAS1216518-77-2
- Purity/Analytical method: >99.0%
-
BX 513 hydrochloride
- CAS RN: 1216540-18-9
- Product Code: starshine_CAS1216540-18-9
- Purity/Analytical method: >99.0%
-
(2-isopropoxyphenyl)MethanaMine hydrochloride
- CAS RN: 1216545-76-4
- Product Code: starshine_CAS1216545-76-4
- Purity/Analytical method: >99.0%
![CAS 1216475-30-7 8-bromo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB71094175.gif)
![CAS 1216518-77-2 RAC-N-BENZYL-N-[2-HYDROXYL-2-(4-BENZYLOXY-3-FORMAMIDOPHENYL)-ETHYL]-3-(4-METHOXYPHENYL)-2-PROPYLAMINE-D6 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216518-77-2.gif)
