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CAS 30752-18-2 4-(N-PENTYLOXY)BROMOBENZENE molecular structure lightbox
CAS RN: 30752-18-2

4-(N-PENTYLOXY)BROMOBENZENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS30752-18-2
  • Purity/Analytical Methods: >99.0%
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30752-18-2 / 1-bromo-4-pentoxybenzene

Standard CAS: 30752-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30752-18-2
Multi CAS
Yes
Molecular Formula
C11H15BRO
Molecular Weight
243.140000
Exact Mass
242.030630
InChI
InChI=1S/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3
InChIKey
ILLQRHZDICIFRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
59.16
TPSA
9.23

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
4.5
Consensus LogP
4.02
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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)
-1.35

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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