CAS RN: 62752-05-0
AKOS BBS-00005388
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.20250410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62752-05-0
- Purity/Analytical Methods: >99.0%
62752-05-0 / 6-chloro-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
62752-05-0
Multi CAS
No
Molecular Formula
C17H16CLN5
Molecular Weight
325.800000
Exact Mass
325.109423
InChI
InChI=1S/C17H16ClN5/c1-11-5-3-7-13(9-11)19-16-21-15(18)22-17(23-16)20-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKey
CJURHQCDXDUZIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.76
TPSA
62.73
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
5.4
Consensus LogP
4.71
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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
No
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1,3,5-Triazine-2,4-diamine,6-chloro-N,N’-bis(2-methoxyphenyl)
- CAS RN: 62752-06-1
- Product Code: starshine_CAS62752-06-1
- Purity/Analytical method: >99.0%
-
SPIRO[2H-1-BENZOPYRAN-2,1′-CYCLOPENTAN]-4(3H)-ONE
- CAS RN: 62756-19-8
- Product Code: SSC-172079
-
spiro[2H-1-benzopyran-2,1′-cyclohexan]-4(3H)-one
- CAS RN: 62756-20-1
- Product Code: SSC-172080
-
3,4-dihydro-1′-(methyl)spiro[2H-1-benzopyran-2,4′-piperidine]-4-one
- CAS RN: 62756-24-5
- Product Code: SSC-172081
-
7-Hydroxyspiro[chromene-2,1′-cyclohexan]-4(3H)-one
- CAS RN: 62756-43-8
- Product Code: starshine_CAS62756-43-8
- Purity/Analytical method: >99.0%
-
5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride
- CAS RN: 62769-24-8
- Product Code: SSC-172087
![CAS 62756-19-8 SPIRO[2H-1-BENZOPYRAN-2,1′-CYCLOPENTAN]-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62756-19-8.gif)
![CAS 62756-20-1 spiro[2H-1-benzopyran-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62756-20-1.gif)
![CAS 62756-24-5 3,4-dihydro-1′-(methyl)spiro[2H-1-benzopyran-2,4′-piperidine]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62756-24-5.gif)
![CAS 62756-43-8 7-Hydroxyspiro[chromene-2,1′-cyclohexan]-4(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32556689.gif)
