[email protected]
CAS 77726-78-4 2,2-DIMETHYL-1,2,3-TRIHYDROQUINAZOLIN-4-ONE molecular structure lightbox
CAS RN: 77726-78-4

2,2-DIMETHYL-1,2,3-TRIHYDROQUINAZOLIN-4-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS77726-78-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

77726-78-4 / 2,2-dimethyl-1,3-dihydroquinazolin-4-one

Standard CAS: 77726-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77726-78-4
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13)
InChIKey
BXJMRXBQNLKDCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.61
TPSA
41.13

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us