CAS RN: 1345808-25-4
Arginase inhibitor 1
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 1mg / 2mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1345808-25-4
- Purity/Analytical Methods: >99.0%
1345808-25-4 / (2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
Basic Information
CAS
1345808-25-4
Multi CAS
No
Molecular Formula
C13H27BN2O4
Molecular Weight
286.180000
Exact Mass
286.206388
SMILES
B(CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)O
InChI
InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
InChIKey
CHPILBYRQPOXMV-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
78.31
TPSA
107.02
LogP / Solubility
WLOGP
0.29
MLOGP
0.26
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1345823-20-2 “3H-IndoliuM, 2-[5-[1,3-dihydro-3,3-diMethyl-1-[6-oxo-6-(2-propyn-1-ylaMino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-diMethyl-5-sulfo-, inner salt” molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“3H-IndoliuM, 2-[5-[1,3-dihydro-3,3-diMethyl-1-[6-oxo-6-(2-propyn-1-ylaMino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-diMethyl-5-sulfo-, inner salt”
- CAS RN: 1345823-20-2
- Product Code: SSC-042430
-
PLYZLMIGSHCAEW-UHFFFAOYSA-N
- CAS RN: 1345826-33-6
- Product Code: starshine_CAS1345826-33-6
- Purity/Analytical method: >99.0%
-
(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
- CAS RN: 1345831-65-3
- Product Code: SSC-042431
-
Altiratinib
- CAS RN: 1345847-93-9
- Product Code: starshine_CAS1345847-93-9
- Purity/Analytical method: >99.0%
-
CYM50308
- CAS RN: 1345858-76-5
- Product Code: starshine_CAS1345858-76-5
- Purity/Analytical method: >99.0%
-
Benzoic acid, 4-(1,2,4,5-tetrazin-3-yl)-
- CAS RN: 1345866-65-0
- Product Code: starshine_CAS1345866-65-0
- Purity/Analytical method: >99.0%
![CAS 1345823-20-2 “3H-IndoliuM, 2-[5-[1,3-dihydro-3,3-diMethyl-1-[6-oxo-6-(2-propyn-1-ylaMino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-diMethyl-5-sulfo-, inner salt” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1345823-20-2.gif)
![CAS 1345831-65-3 (3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1345831-65-3.gif)
