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CAS 70454-10-3 2,4-DIBROMO-3-ISOPROPYL-6-METHYLBENZENOL molecular structure lightbox
CAS RN: 70454-10-3

2,4-DIBROMO-3-ISOPROPYL-6-METHYLBENZENOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70454-10-3
  • Purity/Analytical Methods: >99.0%
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70454-10-3 / 2,4-dibromo-6-methyl-3-propan-2-ylphenol

Standard CAS: 70454-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70454-10-3
Multi CAS
No
Molecular Formula
C10H12BR2O
Molecular Weight
308.010000
Exact Mass
307.923440
InChI
InChI=1S/C10H12Br2O/c1-5(2)8-7(11)4-6(3)10(13)9(8)12/h4-5,13H,1-3H3
InChIKey
RNTABDMPJXRYJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.33
TPSA
20.23

LogP / Solubility

WLOGP
4.35
MLOGP
3.84
XLogP3
4.4
Consensus LogP
4.2
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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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