CAS RN: 1610703-69-9
6-chloro-9-ethyl-8-iodo-9H-purine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250427 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1610703-69-9
- Purity/Analytical Methods: >99.0%
1610703-69-9 / 6-chloro-9-ethyl-8-iodopurine
Basic Information
CAS
1610703-69-9
Multi CAS
No
Molecular Formula
C7H6ClIN4
Molecular Weight
308.510000
Exact Mass
307.932570
SMILES
CCN1C2=C(C(=NC=N2)Cl)N=C1I
InChI
InChI=1S/C7H6ClIN4/c1-2-13-6-4(12-7(13)9)5(8)10-3-11-6/h3H,2H2,1H3
InChIKey
GPMPXKNHAQGMNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.72
TPSA
43.6
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
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
Customers Also Viewed
-
Methyl 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidine-2-carboxylate
- CAS RN: 1610705-51-5
- Product Code: SSC-068820
-
Carbonic acid, 4-nitrophenyl 3-(2-pyridinyldithio)propyl ester
- CAS RN: 1610731-08-2
- Product Code: starshine_CAS1610731-08-2
- Purity/Analytical method: >99.0%
-
-
Dabigatran etexilate Impurity R
- CAS RN: 1610758-20-7
- Product Code: starshine_CAS1610758-20-7
- Purity/Analytical method: >99.0%
-
tert-butyl (S)-(1-(3-aminophenyl)ethyl)carbamate
- CAS RN: 1610767-01-5
- Product Code: starshine_CAS1610767-01-5
- Purity/Analytical method: >99.0%
-
[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate
- CAS RN: 1610769-13-5
- Product Code: starshine_CAS1610769-13-5
- Purity/Analytical method: >99.0%
![CAS 1610769-13-5 [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1610769-13-5.gif)