CAS RN: 40721-21-9
methyl-succinic acid bis-benzylamide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 200mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927315
40721-21-9 / N,N'-dibenzyl-2-methylbutanediamide
Basic Information
CAS
40721-21-9
Multi CAS
No
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
InChI
InChI=1S/C19H22N2O2/c1-15(19(23)21-14-17-10-6-3-7-11-17)12-18(22)20-13-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKey
QEUONUFVQGYIOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.36
TPSA
58.2
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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