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CAS 88999-91-1 1-(4-Bromobutyl)-4-bromobenzene molecular structure lightbox
CAS RN: 88999-91-1

1-(4-Bromobutyl)-4-bromobenzene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88999-91-1
  • Purity/Analytical Methods: >99.0%
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88999-91-1 / 1-bromo-4-(4-bromobutyl)benzene

Standard CAS: 88999-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88999-91-1
Multi CAS
No
Molecular Formula
C10H12BR2
Molecular Weight
292.010000
Exact Mass
291.928530
InChI
InChI=1S/C10H12Br2/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7H,1-3,8H2
InChIKey
YWTSERISEGNNBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
Molar refractivity
60.87
TPSA
0.0000

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
4.3
Consensus LogP
4.05
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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