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CAS 503168-08-9 methyl 4-aminotetrahydrofuran-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 503168-08-9

methyl 4-aminotetrahydrofuran-3-carboxylate hydrochloride

  • Product code: SSC-156771
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 503168-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry

503168-08-9 / methyl (3R,4S)-4-aminooxolane-3-carboxylate;hydrochloride

Standard CAS: 503168-08-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503168-08-9
Multi CAS
Yes
Molecular Formula
C6H12CLNO3
Molecular Weight
181.620000
Exact Mass
181.050571
InChI
InChI=1S/C6H11NO3.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h4-5H,2-3,7H2,1H3;1H/t4-,5+;/m0./s1
InChIKey
HUQJAEXTMMVOBZ-UYXJWNHNSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.55
TPSA
61.55

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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