[email protected]
CAS 1394840-27-7 3-BroMo-6-iodothieno[3,2-B]thiophene molecular structure lightbox
CAS RN: 1394840-27-7

3-BroMo-6-iodothieno[3,2-B]thiophene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1394840-27-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1394840-27-7 / 3-bromo-6-iodothieno[3,2-b]thiophene

Standard CAS: 1394840-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394840-27-7
Multi CAS
No
Molecular Formula
C6H2BrIS2
Molecular Weight
345.000000
Exact Mass
343.782600
SMILES
C1=C(C2=C(S1)C(=CS2)I)Br
InChI
InChI=1S/C6H2BrIS2/c7-3-1-9-6-4(8)2-10-5(3)6/h1-2H
InChIKey
NOXJANNYZRUSOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
8
H-bond acceptors
2
Molar refractivity
60.12
TPSA
56.5000

LogP / Solubility

WLOGP
4.33
MLOGP
3.83
XLogP3
4
Consensus LogP
4.05
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us