![CAS 1349199-70-7 1-Benzyl-6-tosyl-1,6-diazaspiro[3.3]heptan-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349199-70-7.gif)
CAS RN: 1349199-70-7
1-Benzyl-6-tosyl-1,6-diazaspiro[3.3]heptan-3-ol
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.20260516 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1349199-70-7
- Purity/Analytical Methods: >99.0%
1349199-70-7 / 1-benzyl-6-(4-methylphenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-3-ol
Basic Information
CAS
1349199-70-7
Multi CAS
No
Molecular Formula
C19H22N2O3S
Molecular Weight
358.500000
Exact Mass
358.135114
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)C(CN3CC4=CC=CC=C4)O
InChI
InChI=1S/C19H22N2O3S/c1-15-7-9-17(10-8-15)25(23,24)21-13-19(14-21)18(22)12-20(19)11-16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3
InChIKey
LGWSZRHTXSQOOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.53
TPSA
60.85
LogP / Solubility
WLOGP
1.61
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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