[email protected]
CAS 73-48-3 BENDROFLUMETHIAZIDE molecular structure lightbox
CAS RN: 73-48-3

BENDROFLUMETHIAZIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250815 100mg In stock Inquiry
  • Product code: starshine_CAS73-48-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

73-48-3 / 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Standard CAS: 73-48-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
73-48-3
Multi CAS
Yes
Molecular Formula
C15F3H14N3O4S2
Molecular Weight
421.400000
Exact Mass
421.037783
InChI
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
InChIKey
HDWIHXWEUNVBIY-UHFFFAOYSA-N

Physical Properties

Melting Point
222-223 °C 224.5 to 225.5 °C (also reported as 221 to 223 °C) 221 - 223 °C
Physical Description
Solid
Appearance
Crystals from dioxane. WHITE TO CREAM-COLORED, FINELY DIVIDED, CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
90.7
TPSA
118.36

LogP / Solubility

WLOGP
1.63
MLOGP
1.46
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us