[email protected]
CAS 203120-46-1 laninamivir octanoate molecular structure lightbox
CAS RN: 203120-46-1

laninamivir octanoate

Product Availability

Choose a grade to view its available package options.

6 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250520 100mg Out of stock Inquiry
Batchno.20251229 10mg Out of stock Inquiry
Batchno.20260321 1mg Out of stock Inquiry
Batchno.20250314 25mg Out of stock Inquiry
Batchno.20260403 50mg Out of stock Inquiry
Batchno.20251018 5mg Out of stock Inquiry
  • Product code: starshine_CAS203120-46-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

203120-46-1 / (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Standard CAS: 203120-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203120-46-1
Multi CAS
No
Molecular Formula
C21H36N4O8
Molecular Weight
472.500000
Exact Mass
472.253314
SMILES
CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O
InChI
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
InChIKey
UKTIJASCFRNWCB-RMIBSVFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
5
Molar refractivity
118.93
TPSA
195.79

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.16
XLogP3
0.4
Consensus LogP
0.01
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us