![CAS 1005307-86-7 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N6-[2-(dimethylamino)ethyl]-N4-(3,4-dimethylphenyl)-1-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1005307-86-7.gif)
CAS RN: 1005307-86-7
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N6-[2-(dimethylamino)ethyl]-N4-(3,4-dimethylphenyl)-1-phenyl-
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.20251129 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1005307-86-7
- Purity/Analytical Methods: >99.0%
1005307-86-7 / 6-N-[2-(dimethylamino)ethyl]-4-N-(3,4-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PR5-LL-CM01 | N6-(2-(dimethylamino)ethyl)-N4-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | N6-(2-Dimethylamino-ethyl)-N4-(3,4-dimethyl-phenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Basic Information
CAS
1005307-86-7
Multi CAS
No
Molecular Formula
C23H27N7
Molecular Weight
401.500000
Exact Mass
401.232794
SMILES
CC1=C(C=C(C=C1)NC2=C3C=NN(C3=NC(=N2)NCCN(C)C)C4=CC=CC=C4)C
InChI
InChI=1S/C23H27N7/c1-16-10-11-18(14-17(16)2)26-21-20-15-25-30(19-8-6-5-7-9-19)22(20)28-23(27-21)24-12-13-29(3)4/h5-11,14-15H,12-13H2,1-4H3,(H2,24,26,27,28)
InChIKey
UPAZOMJFUXPAJI-UHFFFAOYSA-N
Synonyms
PR5-LL-CM01
N6-(2-(dimethylamino)ethyl)-N4-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
N6-(2-Dimethylamino-ethyl)-N4-(3,4-dimethyl-phenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N6-[2-(dimethylamino)ethyl]-N4-(3,4-dimethylphenyl)-1-phenyl-
N6-[2-(DIMETHYLAMINO)ETHYL]-N4-(3,4-DIMETHYLPHENYL)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIAMINE
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
122.9
TPSA
70.9
LogP / Solubility
WLOGP
4.15
MLOGP
3.68
XLogP3
4.8
Consensus LogP
4.21
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester
- CAS RN: 1005326-26-0
- Product Code: SSC-001123
-
-
(E)-3-(Dimethylamino)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
- CAS RN: 1005336-17-3
- Product Code: starshine_CAS1005336-17-3
- Purity/Analytical method: >99.0%
-
(2S)-1-(1-Methylethyl)-2-pyrrolidinemethanol
- CAS RN: 1005337-07-4
- Product Code: SSC-001127
-
(1R)-1-(adamantan-1-yl)ethan-1-amine hydrochloride
- CAS RN: 1005341-52-5
- Product Code: starshine_CAS1005341-52-5
- Purity/Analytical method: >99.0%
-
(1S)-1-(adamantan-1-yl)ethan-1-amine hydrochloride
- CAS RN: 1005341-54-7
- Product Code: SSC-001128
