[email protected]
CAS 728000-06-4 2-[(4-METHOXYBENZYL)AMINO]PHENOL molecular structure lightbox
CAS RN: 728000-06-4

2-[(4-METHOXYBENZYL)AMINO]PHENOL

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS728000-06-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

728000-06-4 / 2-[(4-methoxyphenyl)methylamino]phenol

Standard CAS: 728000-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
728000-06-4
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
InChI
InChI=1S/C14H15NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h2-9,15-16H,10H2,1H3
InChIKey
DZLVSZGODZJYTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.43
TPSA
41.49

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

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