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CAS 210538-72-0 PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER molecular structure lightbox
CAS RN: 210538-72-0

PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 7,8-DIHYDRO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-100293
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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 210538-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

210538-72-0 / tert-butyl 2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Standard CAS: 210538-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210538-72-0
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CC1=NC=C2CN(CCC2=N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H19N3O2/c1-9-14-7-10-8-16(6-5-11(10)15-9)12(17)18-13(2,3)4/h7H,5-6,8H2,1-4H3
InChIKey
MFFOVBHZCZAHIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.12
TPSA
55.32

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.4
Consensus LogP
1.77
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
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)
-2.77

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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