![CAS 354154-95-3 Trans-Benzyl 2-(Bromomethyl)Hexahydrofuro[2,3-C]Pyridine-6(2H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/354154-95-3(2).gif)
CAS RN: 354154-95-3
Trans-Benzyl 2-(Bromomethyl)Hexahydrofuro[2,3-C]Pyridine-6(2H)-Carboxylate
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.20260217 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS354154-95-3
- Purity/Analytical Methods: >99.0%
354154-95-3 / benzyl (3aR,7aR)-2-(bromomethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-6-carboxylate
Basic Information
CAS
354154-95-3
Multi CAS
Yes
Molecular Formula
BC16H20O3Rn
Molecular Weight
354.240000
Exact Mass
353.062660
InChI
InChI=1S/C16H20BrNO3/c17-9-14-8-13-6-7-18(10-15(13)21-14)16(19)20-11-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14?,15+/m1/s1
InChIKey
PYESLKOIIXXBHE-LOWNFYCTSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
83.38
TPSA
38.77
LogP / Solubility
WLOGP
3.2
MLOGP
2.83
XLogP3
2.9
Consensus LogP
2.98
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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
Yes
Log Kp (skin permeation)
-2.61
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
4
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![CAS 354540-12-8 3-Butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-3-chloro-1,3-pentadien-1-yl]-1,1-dimethyl-1H-benz[e]indolium hexafluorophosphate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/354540-12-8(2).gif)