![CAS 1883329-51-8 (E)-6-(3-morpholinopropyl)-2-(thieno[3,2-c]pyridin-6-yl)-4H-chromen-4-one oxime molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883329-51-8.gif)
CAS RN: 1883329-51-8
(E)-6-(3-morpholinopropyl)-2-(thieno[3,2-c]pyridin-6-yl)-4H-chromen-4-one oxime
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.20250107 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1883329-51-8
- Purity/Analytical Methods: >99.0%
1883329-51-8 / (NE)-N-[6-(3-morpholin-4-ylpropyl)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;dihydrochloride
Basic Information
CAS
1883329-51-8
Multi CAS
No
Molecular Formula
C23H25Cl2N3O3S
Molecular Weight
494.400000
Exact Mass
493.099368
SMILES
C1COCCN1CCCC2=CC\3=C(C=C2)OC(=C/C3=N\O)C4=NC=C5C=CSC5=C4.Cl.Cl
InChI
InChI=1S/C23H23N3O3S.2ClH/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26;;/h3-5,11-15,27H,1-2,6-10H2;2*1H/b25-19+;;
InChIKey
WVFFSBHGWAUQIN-DUOAXNJCSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
19
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
132.25
TPSA
71.09
LogP / Solubility
WLOGP
5.11
MLOGP
4.53
XLogP3
5.11
Consensus LogP
4.92
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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