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CAS 2136287-67-5 (12aR)-7-(hexyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione molecular structure lightbox
CAS RN: 2136287-67-5

(12aR)-7-(hexyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-102012
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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 2136287-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2136287-67-5 / (3R)-11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

Standard CAS: 2136287-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2136287-67-5
Multi CAS
No
Molecular Formula
C16H23N3O4
Molecular Weight
321.370000
Exact Mass
321.168856
SMILES
CCCCCCOC1=C2C(=O)N3CCOC[C@H]3NN2C=CC1=O
InChI
InChI=1S/C16H23N3O4/c1-2-3-4-5-9-23-15-12(20)6-7-19-14(15)16(21)18-8-10-22-11-13(18)17-19/h6-7,13,17H,2-5,8-11H2,1H3/t13-/m0/s1
InChIKey
VYAAQVJEPLIPQB-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
85.34
TPSA
72.8

LogP / Solubility

WLOGP
1.16
MLOGP
1.04
XLogP3
1.8
Consensus LogP
1.33
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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