CAS RN: 200875-37-2
2-BroMo-6-isopropoxynaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250124 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200875-37-2
- Purity/Analytical Methods: >99.0%
200875-37-2 / 2-bromo-6-propan-2-yloxynaphthalene
Basic Information
CAS
200875-37-2
Multi CAS
No
Molecular Formula
C13H13BrO
Molecular Weight
265.140000
Exact Mass
264.014980
SMILES
CC(C)OC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C13H13BrO/c1-9(2)15-13-6-4-10-7-12(14)5-3-11(10)8-13/h3-9H,1-2H3
InChIKey
QDZCGXCWASOOHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.41
TPSA
9.23
LogP / Solubility
WLOGP
4.39
MLOGP
3.87
XLogP3
4.6
Consensus LogP
4.29
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATIDYL-RAC-GLYCEROL, NA SALT
- CAS RN: 200880-41-7
- Product Code: SSC-094788
-
-
-
-
XANTHOTOXOL
- CAS RN: 2009-24-7
- Product Code: starshine_CAS2009-24-7
- Purity/Analytical method: >99.0%
-
