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CAS 120595-72-4 2-AMINO-6-CHLORO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE molecular structure lightbox
CAS RN: 120595-72-4

2-AMINO-6-CHLORO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-021613
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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: 1g
  • Available purity: >95%
  • 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 120595-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

120595-72-4 / (2R,3S,5S)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

2-Amino-6-chloro-9-(2'-deoxy-b-D-ribofuranosyl)purine | 6-Chloro-9-(2-deoxy-b-L-erythro-pentofuranosyl)-9H-purin-2-amine | (2R,3S,5S)-5-(2-amino-6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 120595-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120595-72-4
Multi CAS
Yes
Molecular Formula
C10H12ClN5O3
Molecular Weight
285.690000
Exact Mass
285.062867
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2N=C(N=C3Cl)N)CO)O
InChI
InChI=1S/C10H12ClN5O3/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)
InChIKey
LEDIVMUMDVEFRG-UHFFFAOYSA-N
Synonyms
2-Amino-6-chloro-9-(2'-deoxy-b-D-ribofuranosyl)purine 6-Chloro-9-(2-deoxy-b-L-erythro-pentofuranosyl)-9H-purin-2-amine (2R,3S,5S)-5-(2-amino-6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
66.37
TPSA
119.31

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.25
XLogP3
0.8
Consensus LogP
0.08
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-4.67

Drug-likeness / Medicinal Chemistry

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

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