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CAS 765317-72-4 3-(3,5-Dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-6-benzofuransulfonamide molecular structure lightbox
CAS RN: 765317-72-4

3-(3,5-Dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-6-benzofuransulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS765317-72-4
  • Purity/Analytical Methods: >99.0%
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765317-72-4 / 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide

Standard CAS: 765317-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
765317-72-4
Multi CAS
Yes
Molecular Formula
C26H19BR2N3O7S3
Molecular Weight
741.500000
Exact Mass
740.873140
InChI
InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)
InChIKey
SXKBTDJJEQQEGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
162.7
TPSA
155.67

LogP / Solubility

WLOGP
6.51
MLOGP
5.8
XLogP3
5.9
Consensus LogP
6.07
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-10.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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