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CAS 1823299-93-9 QMADFFRBGJZOQF-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 1823299-93-9

QMADFFRBGJZOQF-UHFFFAOYSA-N

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-083543
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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 1823299-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1823299-93-9 / 7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate

Standard CAS: 1823299-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823299-93-9
Multi CAS
No
Molecular Formula
C16H22N2O4
Molecular Weight
306.360000
Exact Mass
306.157957
SMILES
CCOC(=O)C1=CC2=C(CN(CC2)C(=O)OC(C)(C)C)N=C1
InChI
InChI=1S/C16H22N2O4/c1-5-21-14(19)12-8-11-6-7-18(10-13(11)17-9-12)15(20)22-16(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKey
QMADFFRBGJZOQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
80.54
TPSA
68.73

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
1.8
Consensus LogP
2.2
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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