![CAS 592474-91-4 2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/592474-91-4.gif)
CAS RN: 592474-91-4
2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250528 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250422 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250815 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250827 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250111 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260614 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS592474-91-4
- Purity/Analytical Methods: >99.0%
592474-91-4 / 2-chloro-4-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Basic Information
CAS
592474-91-4
Multi CAS
Yes
Molecular Formula
C15H14CLN3O3S
Molecular Weight
351.800000
Exact Mass
351.044440
InChI
InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8+
InChIKey
XPACBFAEZIPDRT-QGMBQPNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
93.12
TPSA
86.86
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.2
Consensus LogP
3.03
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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