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CAS 1346604-36-1 N-Acetyl Glyphosate-d3 molecular structure lightbox
CAS RN: 1346604-36-1

N-Acetyl Glyphosate-d3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1346604-36-1
  • Purity/Analytical Methods: >99.0%
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1346604-36-1 / 2-[phosphonomethyl-(2,2,2-trideuterioacetyl)amino]acetic acid

Standard CAS: 1346604-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346604-36-1
Multi CAS
No
Molecular Formula
C5H10NO6P
Molecular Weight
214.130000
Exact Mass
214.043404
SMILES
[2H]C([2H])([2H])C(=O)N(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)/i1D3
InChIKey
BFECXRMSKVFCNB-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.93
TPSA
115.14

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.83
XLogP3
-2.4
Consensus LogP
-1.39
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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