CAS RN: 60006-11-3
N,N’-(4-Methyl-1,3-phenylene)bis(1-pyrrolidinecarboxamide)
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.20260517 | 500g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60006-11-3
- Purity/Analytical Methods: >99.0%
60006-11-3 / N-[4-methyl-3-(pyrrolidine-1-carbonylamino)phenyl]pyrrolidine-1-carboxamide
Basic Information
CAS
60006-11-3
Multi CAS
No
Molecular Formula
C17H24N4O2
Molecular Weight
316.400000
Exact Mass
316.189926
InChI
InChI=1S/C17H24N4O2/c1-13-6-7-14(18-16(22)20-8-2-3-9-20)12-15(13)19-17(23)21-10-4-5-11-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,22)(H,19,23)
InChIKey
GXNHWSRZOJJZKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.83
TPSA
64.68
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
1.6
Consensus LogP
2.57
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
-
3-amino-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
- CAS RN: 60016-63-9
- Product Code: SSC-168601
-
