![CAS 1832713-02-6 (3S)-1-[4-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]-1-naphthalenyl]-3-pyrrolidinecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1832713-02-6.gif)
CAS RN: 1832713-02-6
(3S)-1-[4-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]-1-naphthalenyl]-3-pyrrolidinecarboxylic acid
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250221 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250203 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250510 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250401 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260424 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1832713-02-6
- Purity/Analytical Methods: >99.0%
1832713-02-6 / (3S)-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
Basic Information
CAS
1832713-02-6
Multi CAS
No
Molecular Formula
C25H28N2O4S
Molecular Weight
452.600000
Exact Mass
452.176979
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)N4CC[C@@H](C4)C(=O)O)C)C
InChI
InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1
InChIKey
BVYWIQHJXAEJOD-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
128.1
TPSA
86.71
LogP / Solubility
WLOGP
4.79
MLOGP
4.24
XLogP3
4.9
Consensus LogP
4.64
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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