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CAS 10047-10-6 methyl norvalinate hydrochloride molecular structure lightbox
CAS RN: 10047-10-6

methyl norvalinate hydrochloride

  • Product code: SSC-001043
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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, 5g
  • 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 10047-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

10047-10-6 / methyl 2-aminopentanoate;hydrochloride

methyl 2-aminopentanoate hydrochloride | RefChem:814115 | 861-996-8

Standard CAS: 10047-10-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10047-10-6
Multi CAS
No
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
CCCC(C(=O)OC)N.Cl
InChI
InChI=1S/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H
InChIKey
IODNYRVZHKRFIW-UHFFFAOYSA-N
Synonyms
methyl 2-aminopentanoate hydrochloride RefChem:814115 861-996-8 MFCD01632063 DL-Norvaline, methyl ester, hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.15
TPSA
52.32

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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