[email protected]
CAS 1037624-75-1 R428 molecular structure lightbox
CAS RN: 1037624-75-1

R428

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250314 10mg In stock Shanghai Inquiry
Batchno.20250717 1g Out of stock Inquiry
Batchno.20250322 1mg In stock Shanghai Inquiry
Batchno.20250727 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260402 2mg In stock Shanghai Inquiry
Batchno.20250820 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250608 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 1ml In stock Inquiry
  • Product code: SSC-005373
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: 0.1g, 0.25g, 1g
  • 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 1037624-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1037624-75-1 / 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine

(R)-1-(6,7-DIHYDRO-5H-BENZO[6,7]CYCLOHEPTA[1,2-C]PYRIDAZIN-3-YL)-N3-(7-(PYRROLIDIN-1-YL)-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)-1H-1,2,4-TRIAZOLE-3,5-DIAMINE | 1-(3,4-Diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7R)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine | SCHEMBL1640133

Standard CAS: 1037624-75-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1037624-75-1
Multi CAS
Yes
Molecular Formula
C30H34N8
Molecular Weight
506.600000
Exact Mass
506.290643
SMILES
C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76
InChI
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
InChIKey
KXMZDGSRSGHMMK-VWLOTQADSA-N
Synonyms
(R)-1-(6,7-DIHYDRO-5H-BENZO[6,7]CYCLOHEPTA[1,2-C]PYRIDAZIN-3-YL)-N3-(7-(PYRROLIDIN-1-YL)-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)-1H-1,2,4-TRIAZOLE-3,5-DIAMINE 1-(3,4-Diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7R)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine SCHEMBL1640133 CHEMBL4857746 DTXSID50648779

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
149.78
TPSA
97.78

LogP / Solubility

WLOGP
4.88
MLOGP
4.33
XLogP3
5.5
Consensus LogP
4.9
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us