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CAS 1375105-96-6 4-Cyclopropyl-9-(4-quinolin-7-yl-benzenesulfonyl)-1-oxa-4,9-diaza-spiro[5.5]undecan-3-one molecular structure lightbox
CAS RN: 1375105-96-6

4-Cyclopropyl-9-(4-quinolin-7-yl-benzenesulfonyl)-1-oxa-4,9-diaza-spiro[5.5]undecan-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1375105-96-6
  • Purity/Analytical Methods: >99.0%
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1375105-96-6 / 4-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Standard CAS: 1375105-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375105-96-6
Multi CAS
No
Molecular Formula
C26H27N3O4S
Molecular Weight
477.600000
Exact Mass
477.172228
SMILES
C1CC1N2CC3(CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC6=C(C=CC=N6)C=C5)OCC2=O
InChI
InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)22-7-8-22)11-14-28(15-12-26)34(31,32)23-9-5-19(6-10-23)21-4-3-20-2-1-13-27-24(20)16-21/h1-6,9-10,13,16,22H,7-8,11-12,14-15,17-18H2
InChIKey
OGGOWHOQMIINAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
128.59
TPSA
79.81

LogP / Solubility

WLOGP
3.45
MLOGP
3.07
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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