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CAS 48076-74-0 N(alpha)-lauroylarginine ethyl ester molecular structure lightbox
CAS RN: 48076-74-0

N(alpha)-lauroylarginine ethyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS48076-74-0
  • Purity/Analytical Methods: >99.0%
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48076-74-0 / ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate

Standard CAS: 48076-74-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
48076-74-0
Multi CAS
Yes
Molecular Formula
C20H40N4O3
Molecular Weight
384.600000
Exact Mass
384.310041
InChI
InChI=1S/C20H40N4O3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23)/t17-/m0/s1
InChIKey
XJTMYVOVQZMMKX-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.85
Rotatable bonds
17
H-bond acceptors
4
H-bond donors
3
Molar refractivity
110.32
TPSA
119.8

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
4.2
Consensus LogP
3.29
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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