[email protected]
CAS 621-31-8 3-ETHYLAMINOPHENOL molecular structure lightbox
CAS RN: 621-31-8

3-ETHYLAMINOPHENOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS621-31-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

621-31-8 / 4-(ethylamino)phenol

Standard CAS: 621-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
621-31-8
Multi CAS
Yes
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-2-9-7-3-5-8(10)6-4-7/h3-6,9-10H,2H2,1H3
InChIKey
UJWHLERCFNIFNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.27
TPSA
32.26

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us