CAS RN: 2703745-74-6
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester, (1S)-
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.20250314 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703745-74-6
- Purity/Analytical Methods: >99.0%
2703745-74-6 / (1S)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Basic Information
CAS
2703745-74-6
Multi CAS
No
Molecular Formula
C16H21NO5
Molecular Weight
307.340000
Exact Mass
307.141973
SMILES
CC(C)(C)OC(=O)N1CCC2=C([C@H]1C(=O)O)C=CC(=C2)OC
InChI
InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-8-7-10-9-11(21-4)5-6-12(10)13(17)14(18)19/h5-6,9,13H,7-8H2,1-4H3,(H,18,19)/t13-/m0/s1
InChIKey
QHFHNJLLHDVVPW-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.01
TPSA
76.07
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
Pyrrolidine, 2-(2,4-difluorophenyl)-, hydrochloride (1:1), (2R)-
- CAS RN: 2703745-83-7
- Product Code: starshine_CAS2703745-83-7
- Purity/Analytical method: >99.0%
-
Benzenemethanamine, 3-(difluoromethyl)-2-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
- CAS RN: 2703745-91-7
- Product Code: SSC-125659
-
(R)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride
- CAS RN: 2703745-93-9
- Product Code: starshine_CAS2703745-93-9
- Purity/Analytical method: >99.0%
-
(R)-(5-BROMO-2-FLUOROPHENYL)(CYCLOPROPYL)METHANAMINE HYDROCHLORIDE
- CAS RN: 2703745-97-3
- Product Code: starshine_CAS2703745-97-3
- Purity/Analytical method: >99.0%
-
Benzeneethanol, β-amino-3-bromo-4-chloro-, hydrochloride (1:1), (βR)-
- CAS RN: 2703746-09-0
- Product Code: starshine_CAS2703746-09-0
- Purity/Analytical method: >99.0%
-
2-Pyridinemethanamine, 6-amino-α-methyl-, hydrochloride (1:3), (αR)-
- CAS RN: 2703746-11-4
- Product Code: starshine_CAS2703746-11-4
- Purity/Analytical method: >99.0%
