[email protected]
CAS 109904-26-9 5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone molecular structure lightbox
CAS RN: 109904-26-9

5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS109904-26-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

109904-26-9 / 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

5-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one | 5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone | 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

Standard CAS: 109904-26-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109904-26-9
Multi CAS
Yes
Molecular Formula
C26H23NOS
Molecular Weight
397.500000
Exact Mass
397.150036
SMILES
C1CN(CC2=CC(=O)SC21)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H23NOS/c28-25-18-20-19-27(17-16-24(20)29-25)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18,24H,16-17,19H2
InChIKey
QWWKINCXTMBNIV-UHFFFAOYSA-N
Synonyms
5-Trityl-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one 5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thieno[3,2-c]pyridinone 5-trityl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one MFCD21496453 5-Trityl-5,6,7,7a-tetrahydrothieno-[3,2-c]pyridin-2(4H)-one

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
119.87
TPSA
20.31

LogP / Solubility

WLOGP
5.25
MLOGP
4.65
XLogP3
5
Consensus LogP
4.97
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
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)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us