CAS RN: 74252-25-8
INDOMETHACIN SODIUM SALT TRIHYDRATE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS74252-25-8
- Purity/Analytical Methods: >99.0%
74252-25-8 / 3,7,11-trimethyldodeca-2,6,10-trienyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Basic Information
CAS
74252-25-8
Multi CAS
Yes
Molecular Formula
C34H40CLNO4
Molecular Weight
562.100000
Exact Mass
561.264587
InChI
InChI=1S/C19H16ClNO4.Na.3H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;;;/h3-9H,10H2,1-2H3,(H,22,23);;3*1H2/q;+1;;;/p-1
InChIKey
UHYAQBLOGVNWNT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
164.48
TPSA
57.53
LogP / Solubility
WLOGP
8.81
MLOGP
7.79
XLogP3
9.8
Consensus LogP
8.8
Log S (ESOL)
-8.36
Class (ESOL)
Insoluble
Log S (Ali)
-10.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
Alacepril
- CAS RN: 74258-86-9
- Product Code: starshine_CAS74258-86-9
- Purity/Analytical method: >99.0%
-
-
-
-
-
CALCIUM IONOPHORE II
- CAS RN: 74267-27-9
- Product Code: starshine_CAS74267-27-9
- Purity/Analytical method: >99.0%
