CAS RN: 1542705-92-9
CB5083
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15 package records15 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 1ml | In stock | Inquiry |
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| Batchno.20250612 | 100mg | In stock | Shanghai | Inquiry |
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| Batchno.20250512 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250927 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250628 | 5mg | In stock | Shanghai | Inquiry |
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| Batchno.20251212 | 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1542705-92-9
- Purity/Analytical Methods: >99.0%
1542705-92-9 / 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
Basic Information
CAS
1542705-92-9
Multi CAS
No
Molecular Formula
C24H23N5O2
Molecular Weight
413.500000
Exact Mass
413.185175
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
InChIKey
RDALZZCKQFLGJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
119.25
TPSA
95.06
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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