![CAS 6375-65-1 (2-NITROPHENYL)THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6375-65-1.gif)
CAS RN: 6375-65-1
(2-NITROPHENYL)THIO]ACETIC 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.20250125 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6375-65-1
- Purity/Analytical Methods: >99.0%
6375-65-1 / 2-(2-nitrophenyl)sulfanylacetic acid
Basic Information
CAS
6375-65-1
Multi CAS
Yes
Molecular Formula
C8H7NO4S
Molecular Weight
213.210000
Exact Mass
213.009579
InChI
InChI=1S/C8H7NO4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey
PINPTHMYKLERLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.46
TPSA
80.44
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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