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CAS 110683-23-3 8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran molecular structure lightbox
CAS RN: 110683-23-3

8-Amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260427 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
  • Product code: SSC-011655
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 5g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110683-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 4 In Stock Hong Kong Inquiry
100g ≥95% 4 In Stock Shanghai Inquiry

110683-23-3 / 8-amino-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride

8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride | MFCD16621729 | 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride

Standard CAS: 110683-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110683-23-3
Multi CAS
Yes
Molecular Formula
C10H8ClN5O2
Molecular Weight
265.650000
Exact Mass
265.036652
SMILES
C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3.Cl
InChI
InChI=1S/C10H7N5O2.ClH/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10;/h1-4H,11H2,(H,12,13,14,15);1H
InChIKey
QRLFWVLMJYJYCQ-UHFFFAOYSA-N
Synonyms
8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride MFCD16621729 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride 8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride 8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran HCl

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.32
TPSA
110.69

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

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

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