[email protected]
CAS 5769-35-7 1,4-ditosyl-1,4-diazepane molecular structure lightbox
CAS RN: 5769-35-7

1,4-ditosyl-1,4-diazepane

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 1g In stock Inquiry
Batchno.20260112 250mg In stock Inquiry
Batchno.20250224 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100mg In stock Shanghai Inquiry
Batchno.20251124 1g In stock Shanghai Inquiry
Batchno.20250309 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5769-35-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5769-35-7 / 1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane

Standard CAS: 5769-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5769-35-7
Multi CAS
No
Molecular Formula
C19H24N2O4S2
Molecular Weight
408.500000
Exact Mass
408.117750
InChI
InChI=1S/C19H24N2O4S2/c1-16-4-8-18(9-5-16)26(22,23)20-12-3-13-21(15-14-20)27(24,25)19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3
InChIKey
ORANQSHSAIBPEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
104.49
TPSA
74.76

LogP / Solubility

WLOGP
2.39
MLOGP
2.13
XLogP3
2.8
Consensus LogP
2.44
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us