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CAS 16754-80-6 6-Chloro-7-deazapurine-b-D-riboside molecular structure lightbox
CAS RN: 16754-80-6

6-Chloro-7-deazapurine-b-D-riboside

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250427 10g In stock Shanghai Inquiry
Batchno.20250605 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batchno.20250707 5g In stock Shanghai Inquiry
  • Product code: SSC-073091
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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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 16754-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Beijing Inquiry

16754-80-6 / (2R,3R,4S,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Standard CAS: 16754-80-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16754-80-6
Multi CAS
No
Molecular Formula
C11H12ClN3O4
Molecular Weight
285.680000
Exact Mass
285.051634
SMILES
C1=CN(C2=C1C(=NC=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H12ClN3O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2/t6-,7-,8-,11-/m1/s1
InChIKey
BFDDOTZWMOKUCD-KCGFPETGSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
65.55
TPSA
100.63

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
Consensus LogP
-0.19
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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