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CAS 853799-77-6 N-(3-Hydroxyoctanoyl)-DL-hoMoserine lactone molecular structure lightbox
CAS RN: 853799-77-6

N-(3-Hydroxyoctanoyl)-DL-hoMoserine lactone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS853799-77-6
  • Purity/Analytical Methods: >99.0%
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853799-77-6 / 3-hydroxy-N-(2-oxooxolan-3-yl)octanamide

Standard CAS: 853799-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
853799-77-6
Multi CAS
Yes
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
InChI
InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)
InChIKey
XCZVBYOXRSFQBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.27
TPSA
75.63

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1.8
Consensus LogP
1.07
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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