CAS RN: 1364932-19-3

OseltaMivir IMpurity A

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Batchno.20250619 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1364932-19-3
  • Purity/Analytical Methods: >99.0%
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1364932-19-3 / (3R,4R,5S)-5-acetamido-4-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid

Standard CAS: 1364932-19-3 Multi CAS: No

Basic Information

CAS
1364932-19-3
Multi CAS
No
Molecular Formula
C14H24N2O4
Molecular Weight
284.350000
Exact Mass
284.173607
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N)NC(=O)C)C(=O)O
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(13(12)15)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKey
MKPOADZCFCZMRW-YNEHKIRRSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
75.16
TPSA
101.65

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
-1.9
Consensus LogP
-0.12
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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