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CAS 212391-58-7 Pyrido[2,3-d]pyrimidin-7(8H)-one,2-[[4-(2-aminoethoxy)phenyl]amino]-6-(2,6-dichlorophenyl)-8-methyl- molecular structure lightbox
CAS RN: 212391-58-7

Pyrido[2,3-d]pyrimidin-7(8H)-one,2-[[4-(2-aminoethoxy)phenyl]amino]-6-(2,6-dichlorophenyl)-8-methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-101454
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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 212391-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

212391-58-7 / 2-[4-(2-aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

Standard CAS: 212391-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212391-58-7
Multi CAS
No
Molecular Formula
C22H19Cl2N5O2
Molecular Weight
456.300000
Exact Mass
455.091580
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)OCCN
InChI
InChI=1S/C22H19Cl2N5O2/c1-29-20-13(11-16(21(29)30)19-17(23)3-2-4-18(19)24)12-26-22(28-20)27-14-5-7-15(8-6-14)31-10-9-25/h2-8,11-12H,9-10,25H2,1H3,(H,26,27,28)
InChIKey
MAXZESONWXTISA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
124.51
TPSA
95.06

LogP / Solubility

WLOGP
4.38
MLOGP
3.89
XLogP3
3.9
Consensus LogP
4.06
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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