[email protected]
CAS 40386-51-4 disodium 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate) molecular structure lightbox
CAS RN: 40386-51-4

disodium 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS40386-51-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

40386-51-4 / disodium;4-[2,9-dimethyl-7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate

Standard CAS: 40386-51-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40386-51-4
Multi CAS
Yes
Molecular Formula
C26H18N2NA2O6S2
Molecular Weight
564.500000
Exact Mass
564.040167
InChI
InChI=1S/C26H20N2O6S2.2Na/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChIKey
CNUVEAGSJLUJCX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
133.32
TPSA
140.18

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.23
XLogP3
-1.45
Consensus LogP
-1.38
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.19

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
5

Customers Also Viewed

Get In Touch

Contact Us