[email protected]
CAS 1211520-73-8 4-CHLORO-5-(TRIFLUOROMETHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 1211520-73-8

4-CHLORO-5-(TRIFLUOROMETHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251118 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-022579
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211520-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1211520-73-8 / 4-chloro-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

4-CHLORO-5-(TRIFLUOROMETHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE | MFCD18254703 | SCHEMBL16108927

Standard CAS: 1211520-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211520-73-8
Multi CAS
No
Molecular Formula
C7H3ClF3N3
Molecular Weight
221.570000
Exact Mass
220.996759
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)C(F)(F)F
InChI
InChI=1S/C7H3ClF3N3/c8-5-4-3(7(9,10)11)1-12-6(4)14-2-13-5/h1-2H,(H,12,13,14)
InChIKey
XTQGBMSLTHSCEX-UHFFFAOYSA-N
Synonyms
4-CHLORO-5-(TRIFLUOROMETHYL)-7H-PYRROLO[2,3-D]PYRIMIDINE MFCD18254703 SCHEMBL16108927 AKOS025290752 PB11660

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
41.57

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.2

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