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CAS 1427467-46-6 (R)-2-(6′-heptenyl)glycine molecular structure lightbox
CAS RN: 1427467-46-6

(R)-2-(6′-heptenyl)glycine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250404 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1427467-46-6
  • Purity/Analytical Methods: >99.0%
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1427467-46-6 / 2-aminonon-8-enoic acid

Standard CAS: 1427467-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427467-46-6
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
C=CCCCCCC(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8(10)9(11)12/h2,8H,1,3-7,10H2,(H,11,12)/t8-/m1/s1
InChIKey
LKMSSWRWDBZUFC-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.89
TPSA
63.32

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
-0.4
Consensus LogP
0.83
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.67

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
2

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