CAS RN: 1202918-24-8
(Z)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)Methyl)furan-2-yl)benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1202918-24-8
- Purity/Analytical Methods: >99.0%
1202918-24-8 / 3-[5-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoic acid
MFCD31657261 | (E)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)methyl)furan-2-yl)benzoic acid | (Z)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)Methyl)furan-2-yl)benzoic acid
Basic Information
CAS
1202918-24-8
Multi CAS
Yes
Molecular Formula
C20H12ClNO4
Molecular Weight
365.800000
Exact Mass
365.045486
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C20H12ClNO4/c21-13-4-6-17-15(9-13)16(19(23)22-17)10-14-5-7-18(26-14)11-2-1-3-12(8-11)20(24)25/h1-10H,(H,22,23)(H,24,25)/b16-10+
InChIKey
GSVOZLMGXZDHOR-MHWRWJLKSA-N
Synonyms
MFCD31657261
(E)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)methyl)furan-2-yl)benzoic acid
(Z)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)Methyl)furan-2-yl)benzoic acid
C20H12ClNO4
SCHEMBL10091744
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.06
TPSA
79.54
LogP / Solubility
WLOGP
4.79
MLOGP
4.24
XLogP3
3.8
Consensus LogP
4.28
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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