[email protected]
CAS 886840-56-8 Red-CLA [Chemiluminescence Reagent] molecular structure lightbox
CAS RN: 886840-56-8

Red-CLA [Chemiluminescence Reagent]

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 1mg Out of stock 5-7 business days Inquiry
  • Product code: ICTA5311
GET A QUOTE

886840-56-8 / 4-[2-[4-[4-(3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenoxy]butanoylamino]ethylsulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate

Standard CAS: 886840-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886840-56-8
Multi CAS
Yes
Molecular Formula
C50H51N7O9S2
Molecular Weight
958.100000
Exact Mass
957.318969
InChI
InChI=1S/C50H51N7O9S2/c1-30-50(59)57-29-41(52-28-43(57)54-30)31-12-14-34(15-13-31)65-24-6-11-44(58)51-18-19-53-67(60,61)35-16-17-42(68(62,63)64)38(27-35)45-39-25-32-7-2-20-55-22-4-9-36(46(32)55)48(39)66-49-37-10-5-23-56-21-3-8-33(47(37)56)26-40(45)49/h12-17,25-29,53H,2-11,18-24H2,1H3,(H2-,51,52,58,59,62,63,64)
InChIKey
USCHMYZSZWGIDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Aromatic heavy atom count
33
Fraction Csp3
0.36
Rotatable bonds
13
H-bond acceptors
13
H-bond donors
3
Molar refractivity
252.45
TPSA
207.6

LogP / Solubility

WLOGP
4
MLOGP
3.61
XLogP3
4.5
Consensus LogP
4.04
Log S (ESOL)
-7.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.72

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us