[email protected]
CAS 54574-82-2 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid molecular structure lightbox
CAS RN: 54574-82-2

2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250801 100g In stock Shanghai Inquiry
Batchno.20250805 1kg Out of stock Inquiry
Batchno.20250222 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250531 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250904 500g In stock Shanghai Inquiry
  • Product code: starshine_CAS54574-82-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54574-82-2 / 2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid

Standard CAS: 54574-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54574-82-2
Multi CAS
No
Molecular Formula
C22H27NO4
Molecular Weight
369.500000
Exact Mass
369.194008
InChI
InChI=1S/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)
InChIKey
QPNFUBAIQZJEPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.97
TPSA
77.84

LogP / Solubility

WLOGP
4.73
MLOGP
4.18
XLogP3
5.6
Consensus LogP
4.84
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us