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CAS 75535-96-5 2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one molecular structure lightbox
CAS RN: 75535-96-5

2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-184993
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 75535-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 4 In Stock Shanghai Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry

75535-96-5 / 2-chloro-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Standard CAS: 75535-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75535-96-5
Multi CAS
No
Molecular Formula
C14H13CLN2O3
Molecular Weight
292.720000
Exact Mass
292.061470
InChI
InChI=1S/C14H13ClN2O3/c1-19-11-5-8-3-4-17-10(7-13(15)16-14(17)18)9(8)6-12(11)20-2/h5-7H,3-4H2,1-2H3
InChIKey
BIJWXQNMLKVZJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
75.75
TPSA
53.35

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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