 Ester Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82621614.gif)
CAS RN: 1795785-74-8
L-Leucine 2-[(2-AMino-1,6-dihydro-6-oxo-9H-purin-9-yl)Methoxy](ethyl-d4) Ester Hydrochloride
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.20250627 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1795785-74-8
- Purity/Analytical Methods: >99.0%
1795785-74-8 / [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-2-amino-4-methylpentanoate;hydrochloride
Basic Information
CAS
1795785-74-8
Multi CAS
No
Molecular Formula
C14H23ClN6O4
Molecular Weight
378.850000
Exact Mass
378.172038
SMILES
[2H]C([2H])(C([2H])([2H])OC(=O)[C@H](CC(C)C)N)OCN1C=NC2=C1N=C(NC2=O)N.Cl
InChI
InChI=1S/C14H22N6O4.ClH/c1-8(2)5-9(15)13(22)24-4-3-23-7-20-6-17-10-11(20)18-14(16)19-12(10)21;/h6,8-9H,3-5,7,15H2,1-2H3,(H3,16,18,19,21);1H/t9-;/m0./s1/i3D2,4D2;
InChIKey
JPMIOIPFRXOSEP-QMLHMQFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
94.15
TPSA
151.14
LogP / Solubility
WLOGP
0.01
MLOGP
0.03
XLogP3
0.01
Consensus LogP
0.02
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
AAMA-d3
- CAS RN: 1795786-57-0
- Product Code: starshine_CAS1795786-57-0
- Purity/Analytical method: >99.0%
-
3-Methoxy-N-[(phenylMethoxy)carbonyl]-O-(phenylMethyl)-L-tyrosine-d3 Methyl Ester
- CAS RN: 1795786-84-3
- Product Code: starshine_CAS1795786-84-3
- Purity/Analytical method: >99.0%
-
(S)-N-[1-(AMinocarbonyl)propyl]-4-chlorobutanaMide-d3
- CAS RN: 1795786-85-4
- Product Code: starshine_CAS1795786-85-4
- Purity/Analytical method: >99.0%
-
(S)-1-AMinoindane-d3
- CAS RN: 1795787-04-0
- Product Code: starshine_CAS1795787-04-0
- Purity/Analytical method: >99.0%
-
N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine-13C,d3
- CAS RN: 1795787-09-5
- Product Code: starshine_CAS1795787-09-5
- Purity/Analytical method: >99.0%
-
Tenofovirdisoproxil Impurity
- CAS RN: 1796539-92-8
- Product Code: starshine_CAS1796539-92-8
- Purity/Analytical method: >99.0%
![CAS 1795786-84-3 3-Methoxy-N-[(phenylMethoxy)carbonyl]-O-(phenylMethyl)-L-tyrosine-d3 Methyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32621518.gif)
![CAS 1795786-85-4 (S)-N-[1-(AMinocarbonyl)propyl]-4-chlorobutanaMide-d3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42621232.gif)
