CAS RN: 26807-65-8
Indapamide
Product Availability
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4 package records4 with current stock1 grade group
- Product code: ICTI0730
- Purity/Analytical Methods: >97.0%(T)(HPLC)
26807-65-8 / 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide
Basic Information
CAS
26807-65-8
Multi CAS
No
Molecular Formula
C16H16ClN3O3S
Molecular Weight
365.800000
Exact Mass
365.060090
SMILES
CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
InChIKey
NDDAHWYSQHTHNT-UHFFFAOYSA-N
Physical Properties
Melting Point
160-162
161 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.38
TPSA
92.5
LogP / Solubility
WLOGP
2.08
MLOGP
1.85
XLogP3
2.9
Consensus LogP
2.28
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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