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CAS 778592-06-6 5-broMo-N-isopropyl-2-MethoxybenzenesulfonaMide molecular structure lightbox
CAS RN: 778592-06-6

5-broMo-N-isopropyl-2-MethoxybenzenesulfonaMide

  • Product code: SSC-187396
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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: 1g
  • Available purity: ≥95%
  • 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 778592-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

778592-06-6 / 5-bromo-2-methoxy-N-propan-2-ylbenzenesulfonamide

Standard CAS: 778592-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
778592-06-6
Multi CAS
No
Molecular Formula
BC10H14O3RnS
Molecular Weight
308.190000
Exact Mass
306.987780
InChI
InChI=1S/C10H14BrNO3S/c1-7(2)12-16(13,14)10-6-8(11)4-5-9(10)15-3/h4-7,12H,1-3H3
InChIKey
XEXMKPJGYOXMJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.15
TPSA
55.4

LogP / Solubility

WLOGP
2.14
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

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

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