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CAS 674799-96-3 O6-[4-(AMINOMETHYL)BENZYL]GUANINE molecular structure lightbox
CAS RN: 674799-96-3

O6-[4-(AMINOMETHYL)BENZYL]GUANINE

  • Product code: SSC-177167
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 674799-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 4 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

674799-96-3 / 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine

Standard CAS: 674799-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
674799-96-3
Multi CAS
No
Molecular Formula
C13H14N6O
Molecular Weight
270.290000
Exact Mass
270.122909
InChI
InChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
InChIKey
UINSGVKWAFJDPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
74.76
TPSA
115.73

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.1
Consensus LogP
0.64
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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