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CAS 1005498-91-8 4-Aminotetrahydro-2H-pyran acetate molecular structure lightbox
CAS RN: 1005498-91-8

4-Aminotetrahydro-2H-pyran acetate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250606 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251014 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-001148
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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 1005498-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1005498-91-8 / acetic acid;oxan-4-amine

Tetrahydro-2H-pyran-4-amine acetate | 4-AMINOTETRAHYDRO-2H-PYRAN ACETATE | acetic acid; oxan-4-amine

Standard CAS: 1005498-91-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1005498-91-8
Multi CAS
Yes
Molecular Formula
C7H15NO3
Molecular Weight
161.200000
Exact Mass
161.105193
SMILES
CC(=O)O.C1COCCC1N
InChI
InChI=1S/C5H11NO.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
InChIKey
PFDSOUIEDDDQES-UHFFFAOYSA-N
Synonyms
Tetrahydro-2H-pyran-4-amine acetate 4-AMINOTETRAHYDRO-2H-PYRAN ACETATE acetic acid; oxan-4-amine 2H-Pyran-4-amine, tetrahydro-, acetate (1:1) MFCD08445669

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.34
TPSA
72.55

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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