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CAS 166734-64-1 6-Heptenoic acid, 2-aMino-, (2S)- molecular structure lightbox
CAS RN: 166734-64-1

6-Heptenoic acid, 2-aMino-, (2S)-

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260613 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250405 100mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai Inquiry
Batchno.20250606 250mg In stock Shanghai Inquiry
  • Product code: SSC-072748
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 166734-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

166734-64-1 / (2S)-2-aminohept-6-enoic acid

Standard CAS: 166734-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166734-64-1
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
C=CCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-/m0/s1
InChIKey
OOOVDVSHGOKTNT-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.66
TPSA
63.32

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
-1.5
Consensus LogP
-0.03
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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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