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CAS 364623-84-7 4-(4-BROMO-PHENOXYMETHYL)-BENZOIC ACID molecular structure lightbox
CAS RN: 364623-84-7

4-(4-BROMO-PHENOXYMETHYL)-BENZOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS364623-84-7
  • Purity/Analytical Methods: >99.0%
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364623-84-7 / 4-[(4-bromophenoxy)methyl]benzoic acid

Standard CAS: 364623-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364623-84-7
Multi CAS
No
Molecular Formula
C14H11BRO3
Molecular Weight
307.140000
Exact Mass
305.989160
InChI
InChI=1S/C14H11BrO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
SBTXPVSBPVKUCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.88
TPSA
46.53

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
3.6
Consensus LogP
3.54
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

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

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