[email protected]
CAS 1154-78-5 LUTEOLINIDIN CHLORIDE molecular structure lightbox
CAS RN: 1154-78-5

LUTEOLINIDIN CHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1154-78-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1154-78-5 / 2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol chloride

Luteolinidol chloride | M011G96EDA | 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)

Standard CAS: 1154-78-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1154-78-5
Multi CAS
Yes
Molecular Formula
C15H11ClO5
Molecular Weight
306.700000
Exact Mass
306.029501
SMILES
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O.[Cl-]
InChI
InChI=1S/C15H10O5.ClH/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8;/h1-7H,(H3-,16,17,18,19);1H
InChIKey
MMAGHFOHXGFQRZ-UHFFFAOYSA-N
Synonyms
Luteolinidol chloride M011G96EDA 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1) RefChem:1088622 601-367-5

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72.72
TPSA
92.22

LogP / Solubility

WLOGP
0.21
MLOGP
0.2
XLogP3
0.21
Consensus LogP
0.21
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us