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CAS 193001-44-4 7-BENZYLOXY-4-CHLORO-6-METHOXY-QUINAZOLINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 193001-44-4

7-BENZYLOXY-4-CHLORO-6-METHOXY-QUINAZOLINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS193001-44-4
  • Purity/Analytical Methods: >99.0%
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193001-44-4 / 4-chloro-6-methoxy-7-phenylmethoxyquinazoline;hydrochloride

Standard CAS: 193001-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193001-44-4
Multi CAS
No
Molecular Formula
C16H14Cl2N2O2
Molecular Weight
337.200000
Exact Mass
336.043233
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCC3=CC=CC=C3.Cl
InChI
InChI=1S/C16H13ClN2O2.ClH/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H
InChIKey
NSNFLSUFJFOYIJ-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
4
H-bond donors
1
Molar refractivity
89.12
TPSA
44.24

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.29
Consensus LogP
4.12
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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