[email protected]
CAS 311318-63-5 5-BROMO-2-HYDROXY-4-METHYL-BENZALDEHYDE molecular structure lightbox
CAS RN: 311318-63-5

5-BROMO-2-HYDROXY-4-METHYL-BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 100mg / 1g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS311318-63-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

311318-63-5 / 5-bromo-2-hydroxy-4-methylbenzaldehyde

Standard CAS: 311318-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
311318-63-5
Multi CAS
No
Molecular Formula
C8H7BRO2
Molecular Weight
215.040000
Exact Mass
213.962940
InChI
InChI=1S/C8H7BrO2/c1-5-2-8(11)6(4-10)3-7(5)9/h2-4,11H,1H3
InChIKey
QEXAZOMOZUCOGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.93
TPSA
37.3

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.6
Consensus LogP
2.29
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.42

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

Get In Touch

Contact Us