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CAS 24460-11-5 2-(4-DIMETHYLAMINO-2-HYDROXY-BENZOYL)-BENZOIC ACID molecular structure lightbox
CAS RN: 24460-11-5

2-(4-DIMETHYLAMINO-2-HYDROXY-BENZOYL)-BENZOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS24460-11-5
  • Purity/Analytical Methods: >99.0%
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24460-11-5 / 2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid

Standard CAS: 24460-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24460-11-5
Multi CAS
No
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
SMILES
CN(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
InChIKey
GLELQLHCSRTFFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.27
TPSA
77.84

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
3.1
Consensus LogP
2.53
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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