CAS RN: 1438383-89-1
9-Bromo-3-(2-Bromo Acetyl)-10,11-Dihydro-5H-dibenzo(c,g) Chromen-8(9H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1438383-89-1
- Purity/Analytical Methods: >99.0%
1438383-89-1 / 9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
Basic Information
CAS
1438383-89-1
Multi CAS
No
Molecular Formula
C19H14Br2O3
Molecular Weight
450.100000
Exact Mass
449.928920
SMILES
C1CC2=CC3=C(C=C2C(=O)C1Br)OCC4=C3C=CC(=C4)C(=O)CBr
InChI
InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2
InChIKey
NVSLOKHCHIFJDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
99.7
TPSA
43.37
LogP / Solubility
WLOGP
4.72
MLOGP
4.18
XLogP3
4.6
Consensus LogP
4.5
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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