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CAS 1044768-45-7 4-chloro-6-fluoro-2-methylpyrido[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 1044768-45-7

4-chloro-6-fluoro-2-methylpyrido[3,4-d]pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-006252
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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 1044768-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1044768-45-7 / 4-chloro-6-fluoro-2-methylpyrido[3,4-d]pyrimidine

4-chloro-6-fluoro-2-methylpyrido[3,4-d]pyrimidine | MFCD11047032 | DTXSID701233734

Standard CAS: 1044768-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1044768-45-7
Multi CAS
No
Molecular Formula
C8H5ClFN3
Molecular Weight
197.600000
Exact Mass
197.015603
SMILES
CC1=NC2=CN=C(C=C2C(=N1)Cl)F
InChI
InChI=1S/C8H5ClFN3/c1-4-12-6-3-11-7(10)2-5(6)8(9)13-4/h2-3H,1H3
InChIKey
SXLNWUHSIPYGHJ-UHFFFAOYSA-N
Synonyms
4-chloro-6-fluoro-2-methylpyrido[3,4-d]pyrimidine MFCD11047032 DTXSID701233734 AKOS006308383 SY456528

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
47.04
TPSA
38.67

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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