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CAS 17345-51-6 BZL-L-2-AMINOHEXANOIC ACID molecular structure lightbox
CAS RN: 17345-51-6

BZL-L-2-AMINOHEXANOIC ACID

  • Product code: SSC-076167
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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 17345-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17345-51-6 / (2S)-2-(benzylamino)hexanoic acid

Standard CAS: 17345-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17345-51-6
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
CCCC[C@@H](C(=O)O)NCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-2-3-9-12(13(15)16)14-10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
HQDXZMGISBZJCQ-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.23
TPSA
49.33

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
0.4
Consensus LogP
1.65
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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