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CAS 362049-62-5 ACETYL-D3-L-CARNITINE HCL molecular structure lightbox
CAS RN: 362049-62-5

ACETYL-D3-L-CARNITINE HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS362049-62-5
  • Purity/Analytical Methods: >99.0%
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362049-62-5 / [(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium chloride

Standard CAS: 362049-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362049-62-5
Multi CAS
Yes
Molecular Formula
C9H18CLNO4
Molecular Weight
242.710000
Exact Mass
242.111266
InChI
InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i1D3;
InChIKey
JATPLOXBFFRHDN-SPMMGKNWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.71
TPSA
63.6

LogP / Solubility

WLOGP
-2.9
MLOGP
-2.54
XLogP3
-2.9
Consensus LogP
-2.78
Log S (ESOL)
0.83
Class (ESOL)
Highly soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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