CAS RN: 1415477-23-4
4-BROMO-7-CHLORO-6-(4-CYCLOPROPYLBENZYL)-2,3-DIHYDROBENZOFURAN
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.20251217 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415477-23-4
- Purity/Analytical Methods: >99.0%
1415477-23-4 / 4-bromo-7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran
Basic Information
CAS
1415477-23-4
Multi CAS
No
Molecular Formula
C18H16BrClO
Molecular Weight
363.700000
Exact Mass
362.007310
SMILES
C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)Br
InChI
InChI=1S/C18H16BrClO/c19-16-10-14(17(20)18-15(16)7-8-21-18)9-11-1-3-12(4-2-11)13-5-6-13/h1-4,10,13H,5-9H2
InChIKey
ICSHUVKDARHDBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
89.57
TPSA
9.23
LogP / Solubility
WLOGP
5.51
MLOGP
4.86
XLogP3
6.1
Consensus LogP
5.49
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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