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CAS 79606-46-5 4-Bromo-N,N-diisopropylbenzamide molecular structure lightbox
CAS RN: 79606-46-5

4-Bromo-N,N-diisopropylbenzamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-188719
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 79606-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

79606-46-5 / 4-bromo-N,N-di(propan-2-yl)benzamide

Standard CAS: 79606-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79606-46-5
Multi CAS
No
Molecular Formula
BC13H18ORn
Molecular Weight
284.190000
Exact Mass
283.057180
InChI
InChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChIKey
ZRHGXOKPARSBQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
70.58
TPSA
20.31

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

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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