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CAS 10549-22-1 2-NITRO-4,5,9,10-TETRAHYDROPYRENE molecular structure lightbox
CAS RN: 10549-22-1

2-NITRO-4,5,9,10-TETRAHYDROPYRENE

  • Product code: SSC-007205
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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: 0.1g, 0.25g, 1g, 5g
  • 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 10549-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

10549-22-1 / 2-nitro-4,5,9,10-tetrahydropyrene

2-Nitro-4,5,9,10-tetrahydropyrene | CCRIS 3372 | 4,5,9,10-Tetrahydro-2-nitropyrene

Standard CAS: 10549-22-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10549-22-1
Multi CAS
No
Molecular Formula
C16H13NO2
Molecular Weight
251.280000
Exact Mass
251.094629
SMILES
C1CC2=C3C(=CC(=C2)[N+](=O)[O-])CCC4=CC=CC1=C43
InChI
InChI=1S/C16H13NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-3,8-9H,4-7H2
InChIKey
CMQCIMXGPDHCOA-UHFFFAOYSA-N
Synonyms
2-Nitro-4,5,9,10-tetrahydropyrene CCRIS 3372 4,5,9,10-Tetrahydro-2-nitropyrene Pyrene, 4,5,9,10-tetrahydro-2-nitro- ZD2D822ONE

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.35
TPSA
43.14

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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
2

Applications of CAS 10549-22-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 10549-22-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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