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CAS 868748-75-8 2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 868748-75-8

2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 1g / 5g / 10g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS868748-75-8
  • Purity/Analytical Methods: >99.0%
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868748-75-8 / 2-amino-2-(oxan-4-yl)acetic acid;hydrochloride

Standard CAS: 868748-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
868748-75-8
Multi CAS
Yes
Molecular Formula
C7H14CLNO3
Molecular Weight
195.640000
Exact Mass
195.066221
InChI
InChI=1S/C7H13NO3.ClH/c8-6(7(9)10)5-1-3-11-4-2-5;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKey
KHYXIPVLUOQKMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.4
TPSA
72.55

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.74

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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