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CAS 587881-23-0 3-benzyl-7-chloro-2-isobutylquinazolin-4(3H)-one molecular structure lightbox
CAS RN: 587881-23-0

3-benzyl-7-chloro-2-isobutylquinazolin-4(3H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-167107
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 587881-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

587881-23-0 / 3-benzyl-7-chloro-2-(2-methylpropyl)quinazolin-4-one

Standard CAS: 587881-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
587881-23-0
Multi CAS
No
Molecular Formula
C19H19CLN2O
Molecular Weight
326.800000
Exact Mass
326.118591
InChI
InChI=1S/C19H19ClN2O/c1-13(2)10-18-21-17-11-15(20)8-9-16(17)19(23)22(18)12-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3
InChIKey
RVBSKDCINWYUOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
95.1
TPSA
34.89

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.13
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-1.66

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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