CAS RN: 872518-71-3
C-(5-bromo-7-chloro-2,3-dihydro-benzofuran-2-yl)-N-BOC-methylamine
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.20260608 | 10mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS872518-71-3
- Purity/Analytical Methods: >99.0%
872518-71-3 / tert-butyl N-[(5-bromo-7-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
Basic Information
CAS
872518-71-3
Multi CAS
No
Molecular Formula
C14H17BRCLNO3
Molecular Weight
362.640000
Exact Mass
361.008030
InChI
InChI=1S/C14H17BrClNO3/c1-14(2,3)20-13(18)17-7-10-5-8-4-9(15)6-11(16)12(8)19-10/h4,6,10H,5,7H2,1-3H3,(H,17,18)
InChIKey
KSVASNJLEZKGDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.51
TPSA
47.56
LogP / Solubility
WLOGP
3.93
MLOGP
3.48
XLogP3
4
Consensus LogP
3.8
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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