CAS RN: 144625-51-4
GR 113808
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS144625-51-4
- Purity/Analytical Methods: >99.0%
144625-51-4 / [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Basic Information
CAS
144625-51-4
Multi CAS
No
Molecular Formula
C19H27N3O4S
Molecular Weight
393.500000
Exact Mass
393.172228
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
InChI
InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChIKey
MOZPSIXKYJUTKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.21
TPSA
80.64
LogP / Solubility
WLOGP
1.6
MLOGP
1.43
XLogP3
1.7
Consensus LogP
1.58
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
22-Hydroxy-3-oxoolean-12-en-29-oic acid
- CAS RN: 144629-84-5
- Product Code: starshine_CAS144629-84-5
- Purity/Analytical method: >99.0%
-
Riluzole 4-Bromo Impurity
- CAS RN: 144631-82-3
- Product Code: starshine_CAS144631-82-3
- Purity/Analytical method: >99.0%
-
ETHYL 3,5-BIS(TRIFLUOROMETHYL)PHENYL ACETATE
- CAS RN: 144632-97-3
- Product Code: SSC-055847
-
SULFO-N-SUCCINIMIDYL (N-IODOACETYL)AMINOBENZOATE
- CAS RN: 144650-93-1
- Product Code: starshine_CAS144650-93-1
- Purity/Analytical method: >99.0%
-
1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
- CAS RN: 144657-66-9
- Product Code: SSC-055923
-
tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- CAS RN: 144657-68-1
- Product Code: starshine_CAS144657-68-1
- Purity/Analytical method: >99.0%
![CAS 144657-66-9 1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-66-9.gif)
![CAS 144657-68-1 tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-68-1.gif)