![CAS 2489404-97-7 1,2,5-Thiadiazolidin-3-one, 5-[(7R)-1-fluoro-5,6,7,8-tetrahydro-3-hydroxy-7-[(3-methylbutyl)amino]-2-naphthalenyl]-, 1,1-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2489404-97-7.gif)
CAS RN: 2489404-97-7
1,2,5-Thiadiazolidin-3-one, 5-[(7R)-1-fluoro-5,6,7,8-tetrahydro-3-hydroxy-7-[(3-methylbutyl)amino]-2-naphthalenyl]-, 1,1-dioxide
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.20260213 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2489404-97-7
- Purity/Analytical Methods: >99.0%
2489404-97-7 / 5-[1-fluoro-3-hydroxy-7-(3-methylbutylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Basic Information
CAS
2489404-97-7
Multi CAS
No
Molecular Formula
C17H24FN3O4S
Molecular Weight
385.500000
Exact Mass
385.147156
SMILES
CC(C)CCNC1CCC2=CC(=C(C(=C2C1)F)N3CC(=O)NS3(=O)=O)O
InChI
InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)
InChIKey
DVFCRTGTEXUFIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.74
TPSA
98.74
LogP / Solubility
WLOGP
1.21
MLOGP
1.08
XLogP3
2.1
Consensus LogP
1.46
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22
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
-
(S)-2-AMINO-3-(2-CHLORO-4-HYDROXYPHENYL)PROPANOIC ACID HYDROCHLORIDE
- CAS RN: 2489613-06-9
- Product Code: starshine_CAS2489613-06-9
- Purity/Analytical method: >99.0%
-
(S)-6-fluoro-2,3-dihydrobenzofuran-3-amine hydrochloride
- CAS RN: 2489613-16-1
- Product Code: starshine_CAS2489613-16-1
- Purity/Analytical method: >99.0%
-
L-Phenylalanine, N-ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl-
- CAS RN: 2490159-62-9
- Product Code: SSC-120128
-
-
-
![CAS 2490159-62-9 L-Phenylalanine, N-ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2490159-62-9.gif)
