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CAS 38196-09-7 3-(4-Hydroxy-3-nitrophenyl)propanoic acid molecular structure lightbox
CAS RN: 38196-09-7

3-(4-Hydroxy-3-nitrophenyl)propanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: LINH928421
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38196-09-7 / 3-(4-hydroxy-3-nitrophenyl)propanoic acid

Standard CAS: 38196-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38196-09-7
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
InChI
InChI=1S/C9H9NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1,3,5,11H,2,4H2,(H,12,13)
InChIKey
KPJMKEOLALLMDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.72
TPSA
100.67

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.8
Consensus LogP
1.43
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

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

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