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CAS 1265166-14-0 Antifungal agent 1 molecular structure lightbox
CAS RN: 1265166-14-0

Antifungal agent 1

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1265166-14-0
  • Purity/Analytical Methods: >99.0%
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1265166-14-0 / 3-(4-chloroanilino)-6-hydroxy-9-methylcarbazole-1,4-dione

Standard CAS: 1265166-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1265166-14-0
Multi CAS
No
Molecular Formula
C19H13ClN2O3
Molecular Weight
352.800000
Exact Mass
352.061470
SMILES
CN1C2=C(C=C(C=C2)O)C3=C1C(=O)C=C(C3=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN2O3/c1-22-15-7-6-12(23)8-13(15)17-18(22)16(24)9-14(19(17)25)21-11-4-2-10(20)3-5-11/h2-9,21,23H,1H3
InChIKey
QUAFTMJUVQDZHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
96.4
TPSA
71.33

LogP / Solubility

WLOGP
3.91
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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