CAS RN: 1218790-11-4
benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylcarbamate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1218790-11-4
- Purity/Analytical Methods: >99.0%
1218790-11-4 / benzyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
Basic Information
CAS
1218790-11-4
Multi CAS
No
Molecular Formula
C19H23BN2O4
Molecular Weight
354.200000
Exact Mass
354.175087
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H23BN2O4/c1-18(2)19(3,4)26-20(25-18)15-10-16(12-21-11-15)22-17(23)24-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,22,23)
InChIKey
OEEKUXWNIQARJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.2
TPSA
69.68
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
3.13
Consensus LogP
3.01
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
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
2.5
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