[email protected]
CAS 1026785-59-0 VX-222 molecular structure lightbox
CAS RN: 1026785-59-0

VX-222

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1026785-59-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1026785-59-0 / 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid

VX-222 | RefChem:934153 | Lomibuvir

Standard CAS: 1026785-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1026785-59-0
Multi CAS
No
Molecular Formula
C25H35NO4S
Molecular Weight
445.600000
Exact Mass
445.228680
SMILES
CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O
InChI
InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)
InChIKey
WPMJNLCLKAKMLA-UHFFFAOYSA-N
Synonyms
VX-222 RefChem:934153 Lomibuvir VCH-222 VX-222 (VCH-222, Lomibuvir)

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
124.48
TPSA
77.84

LogP / Solubility

WLOGP
5.31
MLOGP
4.7
XLogP3
5.9
Consensus LogP
5.3
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us