CAS RN: 1795027-87-0
N-Benzyl Epinephrine-d3
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.20250805 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1795027-87-0
- Purity/Analytical Methods: >99.0%
1795027-87-0 / 4-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]benzene-1,2-diol
Basic Information
CAS
1795027-87-0
Multi CAS
No
Molecular Formula
C16H19NO3
Molecular Weight
276.340000
Exact Mass
276.155324
SMILES
[2H]C([2H])([2H])N(CC1=CC=CC=C1)CC(C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C16H19NO3/c1-17(10-12-5-3-2-4-6-12)11-16(20)13-7-8-14(18)15(19)9-13/h2-9,16,18-20H,10-11H2,1H3/i1D3
InChIKey
YENHZTNWVCNPRW-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.51
TPSA
63.93
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
Formoterol EP Impurity F
- CAS RN: 1795129-59-7
- Product Code: starshine_CAS1795129-59-7
- Purity/Analytical method: >99.0%
-
p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline
- CAS RN: 1795133-90-2
- Product Code: starshine_CAS1795133-90-2
- Purity/Analytical method: >99.0%
-
(2Z)-3-(4-AMino-3,5-diMethylphenyl)-2-propenenitrile-d6
- CAS RN: 1795135-93-1
- Product Code: starshine_CAS1795135-93-1
- Purity/Analytical method: >99.0%
-
N’-(4-AcetylaMinophenyl)-N,N-diMethylacetaMidine-d6
- CAS RN: 1795137-54-0
- Product Code: starshine_CAS1795137-54-0
- Purity/Analytical method: >99.0%
-
Clavulanic Acid Imidazole Derivative – Labeled d3
- CAS RN: 1795138-51-0
- Product Code: starshine_CAS1795138-51-0
- Purity/Analytical method: >99.0%
-
JYBLCDXVHQWMSU-IKABZUPCSA-N
- CAS RN: 1795153-63-7
- Product Code: starshine_CAS1795153-63-7
- Purity/Analytical method: >99.0%
![CAS 1795133-90-2 p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72620973.gif)
