CAS RN: 153437-55-9
4-(3′-HYDROXYPHENYL)AMINO-6,7-DIMETHOXYQUINAZOLINE, HCL
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.20250419 | 2mg / 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS153437-55-9
- Purity/Analytical Methods: >99.0%
153437-55-9 / 3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
Basic Information
CAS
153437-55-9
Multi CAS
No
Molecular Formula
C16H16ClN3O3
Molecular Weight
333.770000
Exact Mass
333.088019
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O)OC.Cl
InChI
InChI=1S/C16H15N3O3.ClH/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10;/h3-9,20H,1-2H3,(H,17,18,19);1H
InChIKey
MJLLZROGIFJFJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
91.28
TPSA
76.5
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.52
Consensus LogP
3.38
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
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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- CAS RN: 153451-34-4
- Product Code: starshine_CAS153451-34-4
- Purity/Analytical method: >99.0%
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