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CAS 211555-08-7 Phenol, 3-[(6,7-diMethoxy-4-quinazolinyl)aMino]- molecular structure lightbox
CAS RN: 211555-08-7

Phenol, 3-[(6,7-diMethoxy-4-quinazolinyl)aMino]-

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg Out of stock Inquiry
Batchno.20250418 1g Out of stock Inquiry
Batchno.20250422 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS211555-08-7
  • Purity/Analytical Methods: >99.0%
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211555-08-7 / 3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

Standard CAS: 211555-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211555-08-7
Multi CAS
No
Molecular Formula
C16H15N3O3
Molecular Weight
297.310000
Exact Mass
297.111341
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O)OC
InChI
InChI=1S/C16H15N3O3/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)
InChIKey
BNDYIYYKEIXHNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.03
TPSA
76.5

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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