1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine
TL;DR: 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine (CAS 81593-15-9) is a chemical compound with molecular formula C14H10ClN and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1a,9b-dihydrophenanthro[9,10-b]azirine
Also Known As: N-Chlorophenanthreneimine, N-Chlorophenanthrene 9,10-imine, 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine, 1-chloro-1a,9b-dihydrophenanthro[9,10-b]azirine, 1H-Phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-chloro-
| Molecular Formula | C14H10ClN |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.05017 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 81593-15-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(N3Cl)C4=CC=CC=C42 |
| InChIKey | RVZHGYYMTIKPPB-UHFFFAOYSA-N |
Product Overview
1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine (CAS 81593-15-9), with molecular formula C14H10ClN and molecular weight 227.05 g/mol. IUPAC: 1-chloro-1a,9b-dihydrophenanthro[9,10-b]azirine.
Chemical Property Profile of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine
Property Insights of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine
The XLogP value of 3.1 indicates that 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine 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-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine 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
Frequently Asked Questions
What is the CAS number of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine?
The CAS number of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine is 81593-15-9.
What is the molecular formula of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine?
The molecular formula of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine is C14H10ClN.
What is the molecular weight of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine?
The molecular weight of 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine is 227.05 g/mol.
Where can I buy 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine?
You can request a quote for 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.