[email protected]
CAS 3035-94-7 4-(4-Bromophenylazo)phenol molecular structure lightbox
CAS RN: 3035-94-7

4-(4-Bromophenylazo)phenol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 50mg / 200mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTB4053
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

3035-94-7 / 4-[(4-bromophenyl)diazenyl]phenol

Standard CAS: 3035-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3035-94-7
Multi CAS
No
Molecular Formula
BC12H9ORn2
Molecular Weight
277.120000
Exact Mass
275.989830
InChI
InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
InChIKey
YEBZABRSUREBDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.42
TPSA
44.95

LogP / Solubility

WLOGP
4.57
MLOGP
4.03
XLogP3
4
Consensus LogP
4.2
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us