[email protected]
CAS 1103522-45-7 ACT-132577 molecular structure lightbox
CAS RN: 1103522-45-7

ACT-132577

Product Availability

Choose a grade to view its available package options.

15 package records14 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 10mg / 25mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 100mg In stock Shanghai Inquiry
Batchno.20250913 10mg In stock Shanghai Inquiry
Batchno.20260516 1g In stock Shanghai Inquiry
Batchno.20251222 1mg In stock Shanghai Inquiry
Batchno.20251126 250mg In stock Shanghai Inquiry
Batchno.20250527 25mg In stock Shanghai Inquiry
Batchno.20251001 50mg In stock Shanghai Inquiry
Batchno.20250414 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250224 100mg In stock Inquiry
Batchno.20260303 10mg In stock Inquiry
Batchno.20250317 1mg In stock Inquiry
Batchno.20260418 25mg In stock Inquiry
Batchno.20250712 50mg In stock Inquiry
Batchno.20250217 5mg In stock Inquiry
  • Product code: SSC-011449
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: 1g
  • Available purity: ＞97%
  • 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 1103522-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1103522-45-7 / 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine

Aprocitentan | ACT-132577 | Tryvio

Standard CAS: 1103522-45-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1103522-45-7
Multi CAS
Yes
Molecular Formula
C16H14Br2N6O4S
Molecular Weight
546.200000
Exact Mass
545.914350
SMILES
C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br
InChI
InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)
InChIKey
DKULOVKANLVDEA-UHFFFAOYSA-N
Synonyms
Aprocitentan ACT-132577 Tryvio Macitentan metabolite m6 MZI81HV01P

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
112.62
TPSA
142.21

LogP / Solubility

WLOGP
2.53
MLOGP
2.27
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us