[email protected]
CAS 121933-60-6 4-METHYL-4H-THIENO[3,2-B]PYRROLE-5-CARBALDEHYDE molecular structure lightbox
CAS RN: 121933-60-6

4-METHYL-4H-THIENO[3,2-B]PYRROLE-5-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS121933-60-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

121933-60-6 / 4-methylthieno[3,2-b]pyrrole-5-carbaldehyde

Standard CAS: 121933-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121933-60-6
Multi CAS
No
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
SMILES
CN1C2=C(C=C1C=O)SC=C2
InChI
InChI=1S/C8H7NOS/c1-9-6(5-10)4-8-7(9)2-3-11-8/h2-5H,1H3
InChIKey
XFKPNQZVRPOJNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
8
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.18
TPSA
22

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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
1.5

Customers Also Viewed

Get In Touch

Contact Us