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CAS 208260-29-1 ZM 336372 molecular structure lightbox
CAS RN: 208260-29-1

ZM 336372

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8 package records6 with current stock2 grade groups
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Batchno.20250914 10mg In stock Shanghai Inquiry
Batchno.20251025 5mg In stock Shanghai, Shandong Inquiry
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  • Product code: starshine_CAS208260-29-1
  • Purity/Analytical Methods: >99.0%
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208260-29-1 / 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide

Standard CAS: 208260-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208260-29-1
Multi CAS
No
Molecular Formula
C23H23N3O3
Molecular Weight
389.400000
Exact Mass
389.173942
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
InChIKey
PYEFPDQFAZNXLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
115.96
TPSA
81.67

LogP / Solubility

WLOGP
4.27
MLOGP
3.78
XLogP3
3.7
Consensus LogP
3.92
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

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

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