![CAS 98902-36-4 ({3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)(methyl)amino]propyl}amino)(2-furyl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/98902-36-4.gif)
CAS RN: 98902-36-4
({3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)(methyl)amino]propyl}amino)(2-furyl)methanol
- Product code: SSC-212868
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
98902-36-4 / N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]furan-2-carboxamide
Basic Information
CAS
98902-36-4
Multi CAS
No
Molecular Formula
C19H23N5O4
Molecular Weight
385.400000
Exact Mass
385.175004
InChI
InChI=1S/C19H23N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h4,6,9-11H,5,7-8H2,1-3H3,(H,21,25)(H2,20,22,23)
InChIKey
CNKVWVXXVMNSQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
105.98
TPSA
115.74
LogP / Solubility
WLOGP
2.08
MLOGP
1.85
XLogP3
2.4
Consensus LogP
2.11
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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