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CAS 15811-14-0 6-FORMYL-4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 15811-14-0

6-FORMYL-4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15811-14-0
  • Purity/Analytical Methods: >99.0%
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15811-14-0 / 6-formyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

Standard CAS: 15811-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15811-14-0
Multi CAS
No
Molecular Formula
C8H5NO3S
Molecular Weight
195.200000
Exact Mass
194.999014
SMILES
C1=CSC2=C1NC(=C2C=O)C(=O)O
InChI
InChI=1S/C8H5NO3S/c10-3-4-6(8(11)12)9-5-1-2-13-7(4)5/h1-3,9H,(H,11,12)
InChIKey
QLWQLAJYXJUALS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.52
TPSA
70.16

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.68

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

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