![CAS 1338545-01-9 (R)-9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxythieno[2,3-c]quinolin-4(5H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338545-01-9.gif)
CAS RN: 1338545-01-9
(R)-9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxythieno[2,3-c]quinolin-4(5H)-one hydrochloride
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.20251210 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1338545-01-9
- Purity/Analytical Methods: >99.0%
1338545-01-9 / 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
Basic Information
CAS
1338545-01-9
Multi CAS
No
Molecular Formula
C22H23ClN2O2S
Molecular Weight
414.900000
Exact Mass
414.116877
SMILES
C[C@@H](CN(C)C)C1=CC=C(C=C1)C2=C(C=CC3=C2C4=C(C(=O)N3)SC=C4)O.Cl
InChI
InChI=1S/C22H22N2O2S.ClH/c1-13(12-24(2)3)14-4-6-15(7-5-14)19-18(25)9-8-17-20(19)16-10-11-27-21(16)22(26)23-17;/h4-11,13,25H,12H2,1-3H3,(H,23,26);1H/t13-;/m0./s1
InChIKey
QYYGPSOJFZCEPX-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.27
TPSA
56.33
LogP / Solubility
WLOGP
5.2
MLOGP
4.6
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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