CAS RN: 1362243-37-5
1362243-37-5
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1362243-37-5
- Purity/Analytical Methods: >99.0%
1362243-37-5 / 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
1362243-37-5
Multi CAS
No
Molecular Formula
C15H22BNO2
Molecular Weight
259.150000
Exact Mass
259.174359
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCNC3)C=C2
InChI
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-11-7-8-17-10-12(11)9-13/h5-6,9,17H,7-8,10H2,1-4H3
InChIKey
KJJPMCOKGXTLJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.57
TPSA
30.49
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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