[email protected]
CAS 2055597-12-9 ASN007 molecular structure lightbox
CAS RN: 2055597-12-9

ASN007

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250318 100mg In stock Inquiry
Batchno.20250912 10mg In stock Inquiry
Batchno.20250928 1mg In stock Inquiry
Batchno.20260309 25mg In stock Inquiry
Batchno.20250111 50mg In stock Inquiry
Batchno.20250723 5mg In stock Inquiry
  • Product code: SSC-096755
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: ≥95%
  • 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 2055597-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

2055597-12-9 / N-[(1S)-2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-1-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]imidazole-4-carboxamide

Standard CAS: 2055597-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055597-12-9
Multi CAS
No
Molecular Formula
C22H25ClFN7O2
Molecular Weight
473.900000
Exact Mass
473.174229
SMILES
CC1=CN=C(N=C1N2C=C(N=C2)C(=O)N[C@H](CN)C3=CC(=CC(=C3)Cl)F)NC4CCOCC4
InChI
InChI=1S/C22H25ClFN7O2/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30)/t18-/m1/s1
InChIKey
PWHIUQBBGPGFFV-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
122.03
TPSA
119.98

LogP / Solubility

WLOGP
2.78
MLOGP
2.48
XLogP3
2.3
Consensus LogP
2.52
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us