[email protected]
CAS 744266-99-7 N-Methyl-N-pentyl-beta-alanine methyl ester molecular structure lightbox
CAS RN: 744266-99-7

N-Methyl-N-pentyl-beta-alanine methyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS744266-99-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

744266-99-7 / methyl 3-[methyl(pentyl)amino]propanoate

Standard CAS: 744266-99-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
744266-99-7
Multi CAS
No
Molecular Formula
C10H21NO2
Molecular Weight
187.280000
Exact Mass
187.157229
InChI
InChI=1S/C10H21NO2/c1-4-5-6-8-11(2)9-7-10(12)13-3/h4-9H2,1-3H3
InChIKey
ZWKFEVVFVAGPDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
53.66
TPSA
29.54

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us