CAS RN: 1415963-60-8

OseltaMivir Acid Hydrochloride

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Batchno.20260113 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415963-60-8
  • Purity/Analytical Methods: >99.0%
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1415963-60-8 / (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid;hydrochloride

Standard CAS: 1415963-60-8 Multi CAS: No

Basic Information

CAS
1415963-60-8
Multi CAS
No
Molecular Formula
C14H25ClN2O4
Molecular Weight
320.810000
Exact Mass
320.150285
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O.Cl
InChI
InChI=1S/C14H24N2O4.ClH/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17;/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19);1H/t11-,12+,13+;/m0./s1
InChIKey
OTBMMOBYSNFNOE-LUHWTZLKSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
82.41
TPSA
101.65

LogP / Solubility

WLOGP
1.23
MLOGP
1.1
XLogP3
1.23
Consensus LogP
1.19
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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