[email protected]
CAS 2241669-86-1 L-Cysteine, N-acetyl-S-[2-amino-9-[(4-fluorophenyl)methyl]-6,9-dihydro-6-oxo-1H-purin-8-yl]- molecular structure lightbox
CAS RN: 2241669-86-1

L-Cysteine, N-acetyl-S-[2-amino-9-[(4-fluorophenyl)methyl]-6,9-dihydro-6-oxo-1H-purin-8-yl]-

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260504 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 100mg In stock Shanghai Inquiry
Batchno.20250509 10mg In stock Shanghai Inquiry
Batchno.20251119 1g Out of stock Inquiry
Batchno.20250607 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250510 25mg In stock Shanghai Inquiry
Batchno.20250922 50mg In stock Shanghai Inquiry
  • Product code: SSC-109271
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 2241669-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

2241669-86-1 / (2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid

Standard CAS: 2241669-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2241669-86-1
Multi CAS
No
Molecular Formula
C17H17FN6O4S
Molecular Weight
420.400000
Exact Mass
420.101602
SMILES
CC(=O)N[C@@H](CSC1=NC2=C(N1CC3=CC=C(C=C3)F)N=C(NC2=O)N)C(=O)O
InChI
InChI=1S/C17H17FN6O4S/c1-8(25)20-11(15(27)28)7-29-17-21-12-13(22-16(19)23-14(12)26)24(17)6-9-2-4-10(18)5-3-9/h2-5,11H,6-7H2,1H3,(H,20,25)(H,27,28)(H3,19,22,23,26)/t11-/m0/s1
InChIKey
DWTZTMSSTASBNX-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
4
Molar refractivity
104.03
TPSA
155.99

LogP / Solubility

WLOGP
0.57
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.5
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-4.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us