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CAS 1260635-77-5 CouMarin Suberoylanilide HydroxaMic Acid molecular structure lightbox
CAS RN: 1260635-77-5

CouMarin Suberoylanilide HydroxaMic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1260635-77-5
  • Purity/Analytical Methods: >99.0%
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1260635-77-5 / N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide

Standard CAS: 1260635-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260635-77-5
Multi CAS
No
Molecular Formula
C18H22N2O5
Molecular Weight
346.400000
Exact Mass
346.152872
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C18H22N2O5/c1-12-10-18(23)25-15-11-13(8-9-14(12)15)19-16(21)6-4-2-3-5-7-17(22)20-24/h8-11,24H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKey
YSRCADVJNRJJAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
93.48
TPSA
108.64

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
1.9
Consensus LogP
2.45
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.78

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
2.5

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