![CAS 1223573-36-1 1,6-Diazaspiro[3.3]heptane, 6-[(4-Methylphenyl)sulfonyl]-1-(phenylMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1223573-36-1.gif)
CAS RN: 1223573-36-1
1,6-Diazaspiro[3.3]heptane, 6-[(4-Methylphenyl)sulfonyl]-1-(phenylMethyl)-
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.20250307 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1223573-36-1
- Purity/Analytical Methods: >99.0%
1223573-36-1 / 1-benzyl-6-(4-methylphenyl)sulfonyl-1,6-diazaspiro[3.3]heptane
Basic Information
CAS
1223573-36-1
Multi CAS
No
Molecular Formula
C19H22N2O2S
Molecular Weight
342.500000
Exact Mass
342.140199
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)CCN3CC4=CC=CC=C4
InChI
InChI=1S/C19H22N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-14-19(15-21)11-12-20(19)13-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKey
JSUSYNCRRVARDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
94.14
TPSA
40.62
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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