1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone
TL;DR: 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone (CAS 5442-86-4) is a chemical compound with molecular formula C27H34BrNO and molecular weight 467.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one
Also Known As: 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone, 1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one, 1-(9-bromo-3-phenanthryl)-3-(dipentylamino)propan-1-one
| Molecular Formula | C27H34BrNO |
|---|---|
| Molecular Weight | 467.18 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 467.18237 |
| Heavy Atoms | 30 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 5442-86-4 |
|---|---|
| SMILES | CCCCCN(CCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br |
| InChIKey | JEVXMVOSLSJJOF-UHFFFAOYSA-N |
Product Overview
1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone (CAS 5442-86-4), with molecular formula C27H34BrNO and molecular weight 467.18 g/mol. IUPAC: 1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one.
Chemical Property Profile of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone
Property Insights of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone
The XLogP value of 8.4 indicates that 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone?
The CAS number of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone is 5442-86-4.
What is the molecular formula of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone?
The molecular formula of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone is C27H34BrNO.
What is the molecular weight of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone?
The molecular weight of 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone is 467.18 g/mol.
Where can I buy 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone?
You can request a quote for 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.