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CAS 1998700-99-4 H-D-Nva-Oet.HCl molecular structure lightbox
CAS RN: 1998700-99-4

H-D-Nva-Oet.HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-094094
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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: 5g
  • 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 1998700-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1998700-99-4 / ethyl (2R)-2-aminopentanoate;hydrochloride

Standard CAS: 1998700-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1998700-99-4
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
CCC[C@H](C(=O)OCC)N.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m1./s1
InChIKey
CHAJBHNQIZAJJM-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.76
TPSA
52.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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