6-Bromo-7-iodo-2-naphthalenecarbonitrile
TL;DR: 6-Bromo-7-iodo-2-naphthalenecarbonitrile (CAS 1042170-69-3) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9R,13S,14R)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Estrone methyl ether, 6-Bromo-7-iodo-2-naphthalenecarbonitrile, (8R,9R,13S,14R)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Technical Specifications
| Molecular Formula | C19H24O2 |
| Molecular Weight | 284.17764 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.17764 Da |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
| SMILES | C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)OC |
| InChIKey | BCWWDWHFBMPLFQ-FAJBIJEISA-N |
Chemical Property Profile of 6-Bromo-7-iodo-2-naphthalenecarbonitrile
Property Insights of 6-Bromo-7-iodo-2-naphthalenecarbonitrile
The XLogP value of 3.5 indicates that 6-Bromo-7-iodo-2-naphthalenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Bromo-7-iodo-2-naphthalenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-7-iodo-2-naphthalenecarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Bromo-7-iodo-2-naphthalenecarbonitrile?
The CAS number of 6-Bromo-7-iodo-2-naphthalenecarbonitrile is 1042170-69-3.
What is the molecular formula of 6-Bromo-7-iodo-2-naphthalenecarbonitrile?
The molecular formula of 6-Bromo-7-iodo-2-naphthalenecarbonitrile is C19H24O2.
What is the molecular weight of 6-Bromo-7-iodo-2-naphthalenecarbonitrile?
The molecular weight of 6-Bromo-7-iodo-2-naphthalenecarbonitrile is 284.17764 g/mol.
Where can I buy 6-Bromo-7-iodo-2-naphthalenecarbonitrile?
You can request a quote for 6-Bromo-7-iodo-2-naphthalenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromo-7-iodo-2-naphthalenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-7-iodo-2-naphthalenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.