CAS RN: 420788-05-2
7-AMINO-2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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.20250309 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS420788-05-2
- Purity/Analytical Methods: >99.0%
420788-05-2 / 7-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Basic Information
CAS
420788-05-2
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-10-6-11(16)5-4-9(10)7-12(17)13(18)19/h4-6,12H,7-8,16H2,1-3H3,(H,18,19)
InChIKey
RREQMGDPGYJILI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.76
TPSA
92.86
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
3-(azepan-1-ylsulfonyl)-N-(3-broMophenyl)benzaMide
- CAS RN: 420831-40-9
- Product Code: starshine_CAS420831-40-9
- Purity/Analytical method: >99.0%
-
5′-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2 H-[1,2′]BIPYRIDINYL-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 420844-59-3
- Product Code: SSC-150403
-
3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
- CAS RN: 420846-72-6
- Product Code: SSC-150404
-
Phenol, 4-(1,1-dimethylethyl)-2,6-bis(methoxymethyl)-
- CAS RN: 421546-91-0
- Product Code: SSC-150477
-
-
![CAS 420844-59-3 5′-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2 H-[1,2′]BIPYRIDINYL-4-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5729799.gif)
![CAS 421551-76-0 [4-(2-BOC-AMINO-ETHYL)-PHENYL]-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/421551-76-0.gif)