CAS RN: 61654-67-9
2-bromo-6-methoxybenzene-1,4-diol, 97%(HPLC)
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.20260613 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926738
61654-67-9 / 2-bromo-6-methoxybenzene-1,4-diol
Basic Information
CAS
61654-67-9
Multi CAS
No
Molecular Formula
C7H7BRO3
Molecular Weight
219.030000
Exact Mass
217.957860
InChI
InChI=1S/C7H7BrO3/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,9-10H,1H3
InChIKey
CMRLMMCGTLUUHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.02
TPSA
49.69
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
0.9
Consensus LogP
1.47
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-C-Methyl-3,5-bis-O-(4-methylbenzoyl)-D-ribofuranose
- CAS RN: 943638-20-8
- Product Code: LINC930012
-
2-Chloro-4-(methyl-d3)-5-cyclopropylpyrimidine
- CAS RN: 1643538-02-6
- Product Code: LINC889949
-
-
2-Chloro-6-chloromethyl-4-trifluoromethyl-pyridine
- CAS RN: 1196153-15-7
- Product Code: LINC888041
-
