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1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene structure
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1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene

TL;DR: 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene (CAS 126370-96-5) is a chemical compound with molecular formula C21H16ClN and molecular weight 317.09714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(4-chlorophenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine

Also Known As: 1-((4-Chlorophenyl)methyl)-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine, 1H-Phenanthra(9,10-b)azirine, 1-((4-chlorophenyl)methyl)-1a,9b-dihydro-, 1-[(4-chlorophenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene, 1-[(4-CHLOROPHENYL)METHYL]-1A,9B-DIHYDRO-1H-PHENANTHRO[9,10-B]AZIRINE

CAS Number
126370-96-5
Molecular Formula
C21H16ClN
Molecular Weight
317.09714 g/mol
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Technical Specifications

Molecular FormulaC21H16ClN
Molecular Weight317.09714 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)3.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors1
Rotatable Bonds2
Exact Mass317.09714 Da
Heavy Atoms23
Complexity402.0
SMILESC1=CC=C2C(=C1)C3C(N3CC4=CC=C(C=C4)Cl)C5=CC=CC=C52
InChIKeyBJXDXHVBKBXTAG-UHFFFAOYSA-N

Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene

XLogP
4.9
TPSA (Topological Polar Surface Area)
3.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
2
Heavy Atoms
23
Complexity
402.0
Exact Mass
317.09714
Monoisotopic Mass
317.09714
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 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene

The XLogP value of 4.9 indicates that 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.0 Ų, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene has 0 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 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?

The CAS number of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 126370-96-5.

What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?

The molecular formula of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is C21H16ClN.

What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?

The molecular weight of 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene is 317.09714 g/mol.

Where can I buy 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?

You can request a quote for 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene?

Yes, CoreyChem provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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