[email protected]
CAS 2097381-85-4 VH298 molecular structure lightbox
CAS RN: 2097381-85-4

VH298

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 10mg / 50mg / 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250505 1mg In stock Shanghai Inquiry
Batchno.20250101 25mg In stock Shanghai Inquiry
Batchno.20250404 2mg In stock Shanghai Inquiry
Batchno.20250928 50mg In stock Shanghai Inquiry
Batchno.20250717 5mg In stock Shanghai Inquiry
  • Product code: SSC-099544
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2097381-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

2097381-85-4 / (2S,4R)-1-[(2S)-2-[(1-cyanocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Standard CAS: 2097381-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097381-85-4
Multi CAS
No
Molecular Formula
C27H33N5O4S
Molecular Weight
523.600000
Exact Mass
523.225326
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O
InChI
InChI=1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/s1
InChIKey
NDVQUNZCNAMROD-RZUBCFFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
138.92
TPSA
135.42

LogP / Solubility

WLOGP
2.53
MLOGP
2.27
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us