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CAS 121032-29-9 Nelarabine molecular structure lightbox
CAS RN: 121032-29-9

Nelarabine

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260531 1g In stock Inquiry
Batchno.20250601 250mg In stock Inquiry
Batchno.20250414 50mg In stock Inquiry
  • Product code: SSC-022389
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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: >97%
  • 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 121032-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

121032-29-9 / (2R,3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

O-Methylguanosine | 6'-O-Methylguanosine | o6-methylguanosine

Standard CAS: 121032-29-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121032-29-9
Multi CAS
Yes
Molecular Formula
C11H15N5O5
Molecular Weight
297.270000
Exact Mass
297.107319
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1
InChIKey
IXOXBSCIXZEQEQ-UHTZMRCNSA-N
Synonyms
O-Methylguanosine 6'-O-Methylguanosine o6-methylguanosine O(6)-methylguanosine RefChem:103674

Physical Properties

Melting Point
209-217 °C (with decomposition) 209 - 217 °C (decomposition)
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
4
Molar refractivity
69.3
TPSA
148.77

LogP / Solubility

WLOGP
-1.97
MLOGP
-1.72
XLogP3
-0.7
Consensus LogP
-1.46
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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