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CAS 110104-37-5 N2-ACETYL-9-[(2′-HYDROXYETHOXY)METHYL]GUANINE molecular structure lightbox
CAS RN: 110104-37-5

N2-ACETYL-9-[(2′-HYDROXYETHOXY)METHYL]GUANINE

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 100mg In stock Shanghai Inquiry
Batchno.20250130 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250513 1g Out of stock Inquiry
Batchno.20260106 250mg In stock Shanghai Inquiry
  • Product code: SSC-011340
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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 110104-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

110104-37-5 / N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide

Standard CAS: 110104-37-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110104-37-5
Multi CAS
Yes
Molecular Formula
C10H13N5O4
Molecular Weight
267.240000
Exact Mass
267.096754
SMILES
CC(=O)NC1=NC2=C(C(=O)N1)N=CN2COCCO
InChI
InChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)
InChIKey
DJMINGJGFGSDDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
65.49
TPSA
122.13

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.83
XLogP3
-1.7
Consensus LogP
-1.16
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-5.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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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