[email protected]
CAS 193002-14-1 7-benzyloxy-3,4-dihydroquinazolin-4-one molecular structure lightbox
CAS RN: 193002-14-1

7-benzyloxy-3,4-dihydroquinazolin-4-one

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS193002-14-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

193002-14-1 / 7-phenylmethoxy-3H-quinazolin-4-one

Standard CAS: 193002-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
193002-14-1
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)NC=N3
InChI
InChI=1S/C15H12N2O2/c18-15-13-7-6-12(8-14(13)16-10-17-15)19-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,16,17,18)
InChIKey
KEMWNYKFWBNOAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.14
TPSA
54.98

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us