CAS RN: 1092443-52-1
BS-181 hydrochloride
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.20250208 | 2mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092443-52-1
- Purity/Analytical Methods: >99.0%
1092443-52-1 / 5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
BS-181 | 5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine | 75M620LLBN
Basic Information
CAS
1092443-52-1
Multi CAS
Yes
Molecular Formula
C22H32N6
Molecular Weight
380.500000
Exact Mass
380.268845
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN
InChI
InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
InChIKey
DNYBIOICMDTDAP-UHFFFAOYSA-N
Synonyms
BS-181
5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
75M620LLBN
Pyrazolo(1,5-a)pyrimidine-5,7-diamine, N5-(6-aminohexyl)-3-(1-methylethyl)-N7-(phenylmethyl)-
5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo(1,5-a)pyrimidine-5,7-diamine
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.45
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
116.86
TPSA
80.27
LogP / Solubility
WLOGP
4.4
MLOGP
3.89
XLogP3
4.1
Consensus LogP
4.13
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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