CAS RN: 5444-83-7
9-BUTYL-6-CHLORO-9H-PURINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-162120
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
5444-83-7 / 9-butyl-6-chloropurine
Basic Information
CAS
5444-83-7
Multi CAS
Yes
Molecular Formula
C9H11CLN4
Molecular Weight
210.660000
Exact Mass
210.067224
InChI
InChI=1S/C9H11ClN4/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h5-6H,2-4H2,1H3
InChIKey
FDRPGDDGRMEJSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.24
TPSA
43.6
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.6
Consensus LogP
2.3
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 5444-91-7 1H-Indole,3-[(4-methyl-1-piperazinyl)methyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
-
1-N-BUTYLCYCLOHEXANOL
- CAS RN: 5445-30-7
- Product Code: starshine_CAS5445-30-7
- Purity/Analytical method: >99.0%
-
-
![CAS 5444-91-7 1H-Indole,3-[(4-methyl-1-piperazinyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5444-91-7.gif)
