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CAS 680622-68-8 1-(2-AMINO-7H-PURIN-6-YL)-1-METHYL-PYRROLIDINIUM CHLORIDE molecular structure lightbox
CAS RN: 680622-68-8

1-(2-AMINO-7H-PURIN-6-YL)-1-METHYL-PYRROLIDINIUM CHLORIDE

  • Product code: SSC-177779
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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: 0.1g, 0.25g, 5g, 1g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 680622-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry
25g ≥95% 1 In Stock Shanghai Inquiry

680622-68-8 / 6-(1-methylpyrrolidin-1-ium-1-yl)-7H-purin-2-amine chloride

Standard CAS: 680622-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
680622-68-8
Multi CAS
Yes
Molecular Formula
C10H15CLN6
Molecular Weight
254.720000
Exact Mass
254.104672
InChI
InChI=1S/C10H15N6.ClH/c1-16(4-2-3-5-16)9-7-8(13-6-12-7)14-10(11)15-9;/h6H,2-5H2,1H3,(H3,11,12,13,14,15);1H/q+1;/p-1
InChIKey
LFEKOSLZZLUSLY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.78
TPSA
80.48

LogP / Solubility

WLOGP
-2.33
MLOGP
-2.04
XLogP3
-2.33
Consensus LogP
-2.23
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly 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
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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