CAS RN: 876861-32-4
1-BroMo-2-Methoxy-3-nitro-benzene
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.20250105 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS876861-32-4
- Purity/Analytical Methods: >99.0%
876861-32-4 / 5-bromo-1,2-diethoxy-3-fluorobenzene
Basic Information
CAS
876861-32-4
Multi CAS
Yes
Molecular Formula
BC10H12O2Rf
Molecular Weight
263.100000
Exact Mass
262.000470
InChI
InChI=1S/C10H12BrFO2/c1-3-13-9-6-7(11)5-8(12)10(9)14-4-2/h5-6H,3-4H2,1-2H3
InChIKey
NMJIYYPJJHRNMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
56.44
TPSA
18.46
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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