![CAS 556006-97-4 [2-(FURAN-2-YLMETHYLIMINO)-3-(3-METHOXY-PHENYL)-2,3-DIHYDRO-THIAZOL-4-YL]-ACETIC ACID HYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1249585.gif)
CAS RN: 556006-97-4
[2-(FURAN-2-YLMETHYLIMINO)-3-(3-METHOXY-PHENYL)-2,3-DIHYDRO-THIAZOL-4-YL]-ACETIC ACID HYDRAZIDE
- Product code: SSC-163537
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
556006-97-4 / 2-[2-(furan-2-ylmethylimino)-3-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetohydrazide
Basic Information
CAS
556006-97-4
Multi CAS
No
Molecular Formula
C17H18N4O3S
Molecular Weight
358.400000
Exact Mass
358.109962
InChI
InChI=1S/C17H18N4O3S/c1-23-14-5-2-4-12(8-14)21-13(9-16(22)20-18)11-25-17(21)19-10-15-6-3-7-24-15/h2-8,11H,9-10,18H2,1H3,(H,20,22)
InChIKey
BODOHZNIGJRCHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
94.21
TPSA
94.78
LogP / Solubility
WLOGP
1.77
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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