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CAS 190605-10-8 3,3-carbonylbis(7-(dibutylamino)-2H-chromen-2-one) molecular structure lightbox
CAS RN: 190605-10-8

3,3-carbonylbis(7-(dibutylamino)-2H-chromen-2-one)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS190605-10-8
  • Purity/Analytical Methods: >99.0%
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190605-10-8 / 7-(dibutylamino)-3-[7-(dibutylamino)-2-oxochromene-3-carbonyl]chromen-2-one

Standard CAS: 190605-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190605-10-8
Multi CAS
No
Molecular Formula
C35H44N2O5
Molecular Weight
572.700000
Exact Mass
572.325023
SMILES
CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CCCC)CCCC)OC3=O
InChI
InChI=1S/C35H44N2O5/c1-5-9-17-36(18-10-6-2)27-15-13-25-21-29(34(39)41-31(25)23-27)33(38)30-22-26-14-16-28(24-32(26)42-35(30)40)37(19-11-7-3)20-12-8-4/h13-16,21-24H,5-12,17-20H2,1-4H3
InChIKey
RCNRIKGRQSBQQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
20
Fraction Csp3
0.46
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
172.46
TPSA
83.97

LogP / Solubility

WLOGP
7.94
MLOGP
7.04
XLogP3
8.9
Consensus LogP
7.96
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-9.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.9
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)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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