CAS RN: 613225-56-2
F1063-0967
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock2 grade groups
- Product code: starshine_CAS613225-56-2
- Purity/Analytical Methods: >99.0%
613225-56-2 / 2-hydroxy-4-[6-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid
Basic Information
CAS
613225-56-2
Multi CAS
Yes
Molecular Formula
C24H24N2O5S2
Molecular Weight
484.600000
Exact Mass
484.112664
InChI
InChI=1S/C24H24N2O5S2/c1-15-6-8-16(9-7-15)13-20-22(29)26(24(32)33-20)12-4-2-3-5-21(28)25-17-10-11-18(23(30)31)19(27)14-17/h6-11,13-14,27H,2-5,12H2,1H3,(H,25,28)(H,30,31)/b20-13-
InChIKey
RNICWTYEMLCCAS-MOSHPQCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
133.22
TPSA
106.94
LogP / Solubility
WLOGP
4.8
MLOGP
4.26
XLogP3
4.9
Consensus LogP
4.65
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
5-(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 613240-18-9
- Product Code: SSC-170160
-
Ethyl a,g-dioxo-4-trifluoroMethylbenzenebutanoate
- CAS RN: 613240-19-0
- Product Code: SSC-170161
-
4-(bromomethyl)-4′-(trifluoromethyl)-1,1′-biphenyl
- CAS RN: 613241-14-8
- Product Code: starshine_CAS613241-14-8
- Purity/Analytical method: >99.0%
-
phenyl 4,6-O-benzylidene-2-deoxy-1-thio-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-glucopyranoside
- CAS RN: 613244-81-8
- Product Code: SSC-170162
-
N-(FMOC-8-AMINO-3,6-DIOXA-OCTYL)-SUCCINAMIC ACID
- CAS RN: 613245-91-3
- Product Code: SSC-170163
-
![CAS 613256-52-3 1-[(2R)-3-Hydroxy-2-Methyl-1-oxopropyl]-L-proline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/613256-52-3.gif)
1-[(2R)-3-Hydroxy-2-Methyl-1-oxopropyl]-L-proline
- CAS RN: 613256-52-3
- Product Code: starshine_CAS613256-52-3
- Purity/Analytical method: >99.0%