[email protected]
CAS 41102-26-5 2,4,6-Trichlorothieno[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 41102-26-5

2,4,6-Trichlorothieno[3,2-d]pyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 100mg Out of stock 8-10 business days Inquiry
GET A QUOTE

41102-26-5 / 2,4,6-trichlorothieno[3,2-d]pyrimidine

2,4,6-trichlorothieno[3,2-d]pyrimidine | MFCD21364607 | SCHEMBL1780319

Standard CAS: 41102-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41102-26-5
Multi CAS
No
Molecular Formula
C6HCL3N2S
Molecular Weight
239.500000
Exact Mass
237.892602
SMILES
C1=C(SC2=C1N=C(N=C2Cl)Cl)Cl
InChI
InChI=1S/C6HCl3N2S/c7-3-1-2-4(12-3)5(8)11-6(9)10-2/h1H
InChIKey
YTBCURLKGMTHAH-UHFFFAOYSA-N
Synonyms
2,4,6-trichlorothieno[3,2-d]pyrimidine MFCD21364607 SCHEMBL1780319 YTBCURLKGMTHAH-UHFFFAOYSA-N AC6097

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
52.45
TPSA
25.78

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
4.2
Consensus LogP
3.69
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us