CAS RN: 15485-81-1
3-(4-CHLORO-PHENYL)-7-HYDROXY-CHROMEN-4-ONE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15485-81-1
- Purity/Analytical Methods: >99.0%
15485-81-1 / 3-(4-chlorophenyl)-7-hydroxychromen-4-one
Basic Information
CAS
15485-81-1
Multi CAS
No
Molecular Formula
C15H9ClO3
Molecular Weight
272.680000
Exact Mass
272.024022
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Cl
InChI
InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey
CAMGISMGOXUYFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.59
TPSA
50.44
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.5
Consensus LogP
3.56
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
Customers Also Viewed
-
-
-
ELEUTHEROSIDE C
- CAS RN: 15486-24-5
- Product Code: starshine_CAS15486-24-5
- Purity/Analytical method: >99.0%
-
3,5-DIHYDROXY-7-METHOXY-2-(4-METHOXY-PHENYL)-CHROMEN-4-ONE
- CAS RN: 15486-33-6
- Product Code: starshine_CAS15486-33-6
- Purity/Analytical method: >99.0%
-
KAEMPFEROL-3,7,4′-TRIMETHYL ETHER
- CAS RN: 15486-34-7
- Product Code: starshine_CAS15486-34-7
- Purity/Analytical method: >99.0%
-
3,5-Methanocyclopent[d]-1,2-oxathiol-6-ol,hexahydro-,2,2-dioxide(9CI)
- CAS RN: 15486-54-1
- Product Code: SSC-064198
![CAS 15486-54-1 3,5-Methanocyclopent[d]-1,2-oxathiol-6-ol,hexahydro-,2,2-dioxide(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15486-54-1.gif)