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1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene structure
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1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene

TL;DR: 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene (CAS 71382-44-0) is a chemical compound with molecular formula C18H13N and molecular weight 243.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene

Also Known As: Benz(a)anthracene-5,6-imine, Benz(a)anthracene 5,6-imine, 1a,11b-Dihydrobenz(3,4)anthra(1,2-b)azirine, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirine

CAS Number
71382-44-0
Molecular Formula
C18H13N
Molecular Weight
243.1048 g/mol
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Technical Specifications

Molecular FormulaC18H13N
Molecular Weight243.1048 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)21.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors1
Rotatable Bonds0
Exact Mass243.1048 Da
Heavy Atoms19
Complexity365.0
SMILESC1=CC=C2C=C3C4=CC=CC=C4C5C(C3=CC2=C1)N5
InChIKeyGGVKUQCQYUOKBM-UHFFFAOYSA-N

Chemical Property Profile of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene

XLogP
3.6
TPSA (Topological Polar Surface Area)
21.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
Rotatable Bonds
0
Heavy Atoms
19
Complexity
365.0
Exact Mass
243.1048
Monoisotopic Mass
243.1048
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene

The XLogP value of 3.6 indicates that 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.9 Ų, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene?

The CAS number of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is 71382-44-0.

What is the molecular formula of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene?

The molecular formula of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is C18H13N.

What is the molecular weight of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene?

The molecular weight of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is 243.1048 g/mol.

Where can I buy 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene?

You can request a quote for 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene?

Yes, CoreyChem provides custom synthesis services for 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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