CAS RN: 1356930-51-2
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4’-cyanobenzyl)-2-L-azetidinecarboxamide-d11
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.20250120 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356930-51-2
- Purity/Analytical Methods: >99.0%
1356930-51-2 / (2S)-1-[(2R)-2-amino-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetyl]-N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
Basic Information
CAS
1356930-51-2
Multi CAS
No
Molecular Formula
C20H26N4O2
Molecular Weight
365.500000
Exact Mass
365.274620
SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C#N)N)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C20H26N4O2/c21-12-14-6-8-15(9-7-14)13-23-19(25)17-10-11-24(17)20(26)18(22)16-4-2-1-3-5-16/h6-9,16-18H,1-5,10-11,13,22H2,(H,23,25)/t17-,18+/m0/s1/i1D2,2D2,3D2,4D2,5D2,16D
InChIKey
KSXWQVQZPDROFY-FLLCJUDPSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.67
TPSA
99.22
LogP / Solubility
WLOGP
1.68
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
Bendamustine Bis-mercapturic Acid-d6
- CAS RN: 1356930-62-5
- Product Code: starshine_CAS1356930-62-5
- Purity/Analytical method: >99.0%
-
Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-[[(S)-2-(formylamino)-4-(methyl-d3)-pentanoyl]oxy]hexadecanoate
- CAS RN: 1356931-00-4
- Product Code: starshine_CAS1356931-00-4
- Purity/Analytical method: >99.0%
-
N-(Acetyl-d3)-S-(3-carboxy-2-propyl)-L-cysteine Disodium Salt
- CAS RN: 1356933-73-7
- Product Code: starshine_CAS1356933-73-7
- Purity/Analytical method: >99.0%
-
N-Acetyl Glufosinate-d3 DisodiuM Salt
- CAS RN: 1356933-74-8
- Product Code: starshine_CAS1356933-74-8
- Purity/Analytical method: >99.0%
-
N-Acetyl-S-(2-hydroxypropyl)cysteine-d3 DicyclohexylaMMoniuM Salt
- CAS RN: 1356934-59-2
- Product Code: starshine_CAS1356934-59-2
- Purity/Analytical method: >99.0%
-
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione
- CAS RN: 1356935-80-2
- Product Code: starshine_CAS1356935-80-2
- Purity/Analytical method: >99.0%
.gif)
![CAS 1356931-00-4 Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-[[(S)-2-(formylamino)-4-(methyl-d3)-pentanoyl]oxy]hexadecanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356931-00-4.gif)
.gif)
![CAS 1356935-80-2 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356935-80-2.gif)