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CAS 103067-78-3 (R)- 2-(3′-butenyl) glycine molecular structure lightbox
CAS RN: 103067-78-3

(R)- 2-(3′-butenyl) glycine

  • Product code: SSC-004514
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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: 0.25g, 1g
  • Available purity: ＞97%
  • 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 103067-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

103067-78-3 / (2R)-2-aminohex-5-enoic acid

(R)-2-Aminohex-5-enoic acid | (2R)-2-aminohex-5-enoic acid | (2R)-2-Amino-5-hexenoic acid

Standard CAS: 103067-78-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103067-78-3
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C=CCC[C@H](C(=O)O)N
InChI
InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m1/s1
InChIKey
NPSWHDAHNWWMEG-RXMQYKEDSA-N
Synonyms
(R)-2-Aminohex-5-enoic acid (2R)-2-aminohex-5-enoic acid (2R)-2-Amino-5-hexenoic acid (R)- 2-(3'-butenyl) glycine MFCD19204099

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.04
TPSA
63.32

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-1.9
Consensus LogP
-0.41
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-3.25

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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