1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
TL;DR: 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol (CAS 7770-23-2) is a chemical compound with molecular formula C36H50BrNO5S and molecular weight 687.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
Also Known As: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol, 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid, 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid, 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid--1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethan-1-ol (1/1)
| Molecular Formula | C36H50BrNO5S |
|---|---|
| Molecular Weight | 687.26 g/mol |
| LogP | 8.7393 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 687.25934 |
| Heavy Atoms | 44 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 7770-23-2 |
|---|---|
| SMILES | CCCCCN(CCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)O.CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C |
| InChIKey | JUTVGQLRNONHGK-UHFFFAOYSA-N |
Product Overview
1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol (CAS 7770-23-2), with molecular formula C36H50BrNO5S and molecular weight 687.26 g/mol. IUPAC: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid.
Chemical Property Profile of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
Property Insights of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
The XLogP value of 8.7393 indicates that 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol. Following Lipinski's Rule of Five, 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol has 2 hydrogen bond donor(s) and 6 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-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol?
The CAS number of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol is 7770-23-2.
What is the molecular formula of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol?
The molecular formula of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol is C36H50BrNO5S.
What is the molecular weight of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol?
The molecular weight of 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol is 687.26 g/mol.
Where can I buy 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol?
You can request a quote for 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.