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CAS 915095-90-8 (R)-3-(4-(5-broMo-2-chlorobenzyl)phenoxy)tetrahydrofuran molecular structure lightbox
CAS RN: 915095-90-8

(R)-3-(4-(5-broMo-2-chlorobenzyl)phenoxy)tetrahydrofuran

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS915095-90-8
  • Purity/Analytical Methods: >99.0%
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915095-90-8 / (3R)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane

Standard CAS: 915095-90-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915095-90-8
Multi CAS
Yes
Molecular Formula
C17H16BRCLO2
Molecular Weight
367.700000
Exact Mass
366.002220
InChI
InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m1/s1
InChIKey
HUNLNKBDQXGMAP-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
88.25
TPSA
18.46

LogP / Solubility

WLOGP
4.86
MLOGP
4.3
XLogP3
5.2
Consensus LogP
4.79
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
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)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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