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CAS 5458-56-0 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid molecular structure lightbox
CAS RN: 5458-56-0

2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250507 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250208 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251204 1g In stock Chengdu Inquiry
Batchno.20250620 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-162297
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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: ＞95%
  • 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 5458-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

5458-56-0 / 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

Standard CAS: 5458-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5458-56-0
Multi CAS
Yes
Molecular Formula
C9H8CL2N2O2
Molecular Weight
247.070000
Exact Mass
245.996283
InChI
InChI=1S/C9H8Cl2N2O2/c10-7-5-3-4(8(14)15)1-2-6(5)12-9(11)13-7/h4H,1-3H2,(H,14,15)
InChIKey
IGTFBKKBTPDJCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.2
TPSA
63.08

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
2.3
Consensus LogP
2
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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