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CAS 1204390-45-3 6-chloroquinazoline-2-carboxylic acid molecular structure lightbox
CAS RN: 1204390-45-3

6-chloroquinazoline-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-021432
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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 1204390-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1204390-45-3 / 6-chloroquinazoline-2-carboxylic acid

6-CHLOROQUINAZOLINE-2-CARBOXYLIC ACID | MFCD17926277 | 6-Chloroquinazoline-2-carboxylicacid

Standard CAS: 1204390-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1204390-45-3
Multi CAS
No
Molecular Formula
C9H5ClN2O2
Molecular Weight
208.600000
Exact Mass
208.003955
SMILES
C1=CC2=NC(=NC=C2C=C1Cl)C(=O)O
InChI
InChI=1S/C9H5ClN2O2/c10-6-1-2-7-5(3-6)4-11-8(12-7)9(13)14/h1-4H,(H,13,14)
InChIKey
KTEUWBNIFISWEU-UHFFFAOYSA-N
Synonyms
6-CHLOROQUINAZOLINE-2-CARBOXYLIC ACID MFCD17926277 6-Chloroquinazoline-2-carboxylicacid SCHEMBL28050442 DTXSID90695085

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.51
TPSA
63.08

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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