CAS RN: 1823263-71-3
6-(benzyloxy)-2-broMo-3-hydroxybenzaldehyde, 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.20251108 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927189
1823263-71-3 / 2-bromo-3-hydroxy-6-phenylmethoxybenzaldehyde
Basic Information
CAS
1823263-71-3
Multi CAS
No
Molecular Formula
C14H11BrO3
Molecular Weight
307.140000
Exact Mass
305.989160
SMILES
C1=CC=C(C=C1)COC2=C(C(=C(C=C2)O)Br)C=O
InChI
InChI=1S/C14H11BrO3/c15-14-11(8-16)13(7-6-12(14)17)18-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKey
ICQZFGMHVSOZTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.97
TPSA
46.53
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.2
Consensus LogP
3.29
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
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
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