![CAS 1015644-54-8 1,3-Bis[1-(methylsulfonyl)-4-piperidinyl]urea molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1015644-54-8.png)
CAS RN: 1015644-54-8
1,3-Bis[1-(methylsulfonyl)-4-piperidinyl]urea
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.20260311 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: LINB929703
1015644-54-8 / 1,3-bis(1-methylsulfonylpiperidin-4-yl)urea
1,3-bis(1-(methylsulfonyl)piperidin-4-yl)urea | 1,3-Bis[1-(methylsulfonyl)-4-piperidinyl]urea | SCHEMBL4919816
Basic Information
CAS
1015644-54-8
Multi CAS
No
Molecular Formula
C13H26N4O5S2
Molecular Weight
382.500000
Exact Mass
382.134462
SMILES
CS(=O)(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)S(=O)(=O)C
InChI
InChI=1S/C13H26N4O5S2/c1-23(19,20)16-7-3-11(4-8-16)14-13(18)15-12-5-9-17(10-6-12)24(2,21)22/h11-12H,3-10H2,1-2H3,(H2,14,15,18)
InChIKey
DDWLLBWHPRQLHA-UHFFFAOYSA-N
Synonyms
1,3-bis(1-(methylsulfonyl)piperidin-4-yl)urea
1,3-Bis[1-(methylsulfonyl)-4-piperidinyl]urea
SCHEMBL4919816
C13H26N4O5S2
AKOS001417992
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.55
TPSA
115.89
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.74
XLogP3
-0.9
Consensus LogP
-0.84
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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