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CAS 150840-94-1 methyl ester-10-amino- Decanoic acid, hydrochloride (1:1) molecular structure lightbox
CAS RN: 150840-94-1

methyl ester-10-amino- Decanoic acid, hydrochloride (1:1)

  • Product code: SSC-060749
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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 150840-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

150840-94-1 / methyl 10-aminodecanoate;hydrochloride

Standard CAS: 150840-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150840-94-1
Multi CAS
No
Molecular Formula
C11H24ClNO2
Molecular Weight
237.770000
Exact Mass
237.149557
SMILES
COC(=O)CCCCCCCCCN.Cl
InChI
InChI=1S/C11H23NO2.ClH/c1-14-11(13)9-7-5-3-2-4-6-8-10-12;/h2-10,12H2,1H3;1H
InChIKey
MPWWIVJMUGWJOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.25
TPSA
52.32

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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)
-2.28

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
1.5

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