CAS RN: 6737-62-8
AKOS BBS-00005389
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.20260212 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6737-62-8
- Purity/Analytical Methods: >99.0%
6737-62-8 / 6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
6737-62-8
Multi CAS
No
Molecular Formula
C17H16CLN5O2
Molecular Weight
357.800000
Exact Mass
357.099253
InChI
InChI=1S/C17H16ClN5O2/c1-24-13-7-3-11(4-8-13)19-16-21-15(18)22-17(23-16)20-12-5-9-14(25-2)10-6-12/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKey
SYEPFYKTOBUIOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
97.39
TPSA
81.19
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
4.6
Consensus LogP
4.06
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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