[email protected]
CAS 342595-74-8 5-(4-methylphenyl)-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 342595-74-8

5-(4-methylphenyl)-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100mg In stock Shanghai Inquiry
Batchno.20250529 10mg In stock Shanghai Inquiry
Batchno.20260120 250mg Out of stock Inquiry
Batchno.20260629 25mg In stock Shanghai Inquiry
Batchno.20250427 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS342595-74-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

342595-74-8 / 5-(4-methylphenyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

Standard CAS: 342595-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342595-74-8
Multi CAS
No
Molecular Formula
C17H17N3S
Molecular Weight
295.400000
Exact Mass
295.114319
InChI
InChI=1S/C17H17N3S/c1-12-4-6-13(7-5-12)14-10-21-17-15(14)16(18-11-19-17)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey
VOAWQTDHSSKEKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
89.04
TPSA
29.02

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
4.5
Consensus LogP
4.18
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us