![CAS 1378388-19-2 7-[(2-Bromo-5-chlorophenyl)methoxy]-3,4-dihydro-1(2H)-naphthalenone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378388-19-2.gif)
CAS RN: 1378388-19-2
7-[(2-Bromo-5-chlorophenyl)methoxy]-3,4-dihydro-1(2H)-naphthalenone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1378388-19-2
- Purity/Analytical Methods: >99.0%
1378388-19-2 / 7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1378388-19-2
Multi CAS
No
Molecular Formula
C17H14BrClO2
Molecular Weight
365.600000
Exact Mass
363.986570
SMILES
C1CC2=C(C=C(C=C2)OCC3=C(C=CC(=C3)Cl)Br)C(=O)C1
InChI
InChI=1S/C17H14BrClO2/c18-16-7-5-13(19)8-12(16)10-21-14-6-4-11-2-1-3-17(20)15(11)9-14/h4-9H,1-3,10H2
InChIKey
MMKIEEGFUOAIAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
87.19
TPSA
26.3
LogP / Solubility
WLOGP
5.2
MLOGP
4.6
XLogP3
4.8
Consensus LogP
4.87
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1378390-29-4 3-(2-bromoacetyl)-10,11-dihydro-5H-Benzo[d]naphtho[2,3-b]pyran-8(9H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1378390-29-4.gif)
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