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CAS 1610703-09-7 N-cyclopropene-L-Lysine molecular structure lightbox
CAS RN: 1610703-09-7

N-cyclopropene-L-Lysine

  • Product code: SSC-068819
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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
  • 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 1610703-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1610703-09-7 / (2S)-2-amino-6-[(2-methylcycloprop-2-en-1-yl)methoxycarbonylamino]hexanoic acid

Standard CAS: 1610703-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1610703-09-7
Multi CAS
No
Molecular Formula
C12H20N2O4
Molecular Weight
256.300000
Exact Mass
256.142307
SMILES
CC1=CC1COC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H20N2O4/c1-8-6-9(8)7-18-12(17)14-5-3-2-4-10(13)11(15)16/h6,9-10H,2-5,7,13H2,1H3,(H,14,17)(H,15,16)/t9?,10-/m0/s1
InChIKey
YMBQDEOCKOLCJG-AXDSSHIGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.06
TPSA
101.65

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
-2
Consensus LogP
-0.12
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
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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