![CAS 117309-46-3 2-([(4-METHOXYPHENYL)SULFONYL]AMINO)-2-PHENYLACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/117309-46-3.gif)
CAS RN: 117309-46-3
2-([(4-METHOXYPHENYL)SULFONYL]AMINO)-2-PHENYLACETIC ACID
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.20260117 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS117309-46-3
- Purity/Analytical Methods: >99.0%
117309-46-3 / 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CHEMBL1907954 | NSC626931 | (2R)-2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
Basic Information
CAS
117309-46-3
Multi CAS
Yes
Molecular Formula
C15H15NO5S
Molecular Weight
321.300000
Exact Mass
321.067094
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)
InChIKey
AFNBBRUKSKERPY-UHFFFAOYSA-N
Synonyms
CHEMBL1907954
NSC626931
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
SCHEMBL7383649
AFNBBRUKSKERPY-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.13
TPSA
92.7
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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