CAS RN: 845543-81-9
(R)-N-Boc-1,2,3,4-tetrahydro-3-isoquinolinylmethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260310 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS845543-81-9
- Purity/Analytical Methods: >99.0%
845543-81-9 / tert-butyl 3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Basic Information
CAS
845543-81-9
Multi CAS
Yes
Molecular Formula
C15H21NO3
Molecular Weight
263.330000
Exact Mass
263.152144
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-9-12-7-5-4-6-11(12)8-13(16)10-17/h4-7,13,17H,8-10H2,1-3H3/t13-/m1/s1
InChIKey
FPIKXSHVYZIKOS-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.8
TPSA
49.77
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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