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CAS 1369533-97-0 (R)-2-Amino-5-methylhex-5-enoic acid molecular structure lightbox
CAS RN: 1369533-97-0

(R)-2-Amino-5-methylhex-5-enoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1369533-97-0
  • Purity/Analytical Methods: >99.0%
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1369533-97-0 / (2R)-2-amino-5-methylhex-5-enoic acid

Standard CAS: 1369533-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369533-97-0
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(=C)CC[C@H](C(=O)O)N
InChI
InChI=1S/C7H13NO2/c1-5(2)3-4-6(8)7(9)10/h6H,1,3-4,8H2,2H3,(H,9,10)/t6-/m1/s1
InChIKey
OYGZAERTQAIZGU-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.66
TPSA
63.32

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
-1.3
Consensus LogP
0.04
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.06

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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