CAS RN: 1640282-30-9
TH588 (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.20260105 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1640282-30-9
- Purity/Analytical Methods: >99.0%
1640282-30-9 / 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
Basic Information
CAS
1640282-30-9
Multi CAS
No
Molecular Formula
C13H13Cl3N4
Molecular Weight
331.600000
Exact Mass
330.020580
SMILES
C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N.Cl
InChI
InChI=1S/C13H12Cl2N4.ClH/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10;/h1-3,6-7H,4-5H2,(H3,16,17,18,19);1H
InChIKey
FBHMEHNWFXCSKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.79
TPSA
63.83
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
4.03
Consensus LogP
3.87
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
I-CBP112
- CAS RN: 1640282-31-0
- Product Code: starshine_CAS1640282-31-0
- Purity/Analytical method: >99.0%
-
[1(2H),4′-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl-, (2’S)-
- CAS RN: 1640282-42-3
- Product Code: starshine_CAS1640282-42-3
- Purity/Analytical method: >99.0%
-
-
ASP4132
- CAS RN: 1640294-30-9
- Product Code: starshine_CAS1640294-30-9
- Purity/Analytical method: >99.0%
-
-
(2S)-2-AMINO-2-(6-METHOXY(3-PYRIDYL))ETHAN-1-OL DIHYDROCHLORIDE
- CAS RN: 1640848-68-5
- Product Code: SSC-071613
![CAS 1640282-42-3 [1(2H),4′-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl-, (2’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640282-42-3.gif)
