RefChem:1066979
TL;DR: RefChem:1066979 (CAS 17532-01-3) is a chemical compound with molecular formula C18H26BrNOS2 and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol;hydrobromide
Also Known As: 1,1-Dithien-3-yl-3-(hexahydro-1-azepinyl)-2-methyl-1-propanol hydrobromide, 1-Propanol, 1,1-(dithien-3-yl)-3-(hexahydro-1-azepinyl)-2-methyl-, hydrobromide, 3-(Azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1), 3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol hydrobromide, 1H-Azepine-1-propanol, hexahydro-.beta.-methyl-.alpha.,.alpha.-di-3-thienyl-, hydrobromide
| Molecular Formula | C18H26BrNOS2 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.1355 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.06393 |
| Heavy Atoms | 23 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 17532-01-3 |
|---|---|
| SMILES | CC(CN1CCCCCC1)C(C2=CSC=C2)(C3=CSC=C3)O.Br |
| InChIKey | TYXNHZPVZIVNGZ-UHFFFAOYSA-N |
Product Overview
RefChem:1066979 (CAS 17532-01-3), with molecular formula C18H26BrNOS2 and molecular weight 415.06 g/mol. IUPAC: 3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol;hydrobromide.
Chemical Property Profile of RefChem:1066979
Property Insights of RefChem:1066979
The XLogP value of 5.1355 indicates that RefChem:1066979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066979. Following Lipinski's Rule of Five, RefChem:1066979 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1066979?
The CAS number of RefChem:1066979 is 17532-01-3.
What is the molecular formula of RefChem:1066979?
The molecular formula of RefChem:1066979 is C18H26BrNOS2.
What is the molecular weight of RefChem:1066979?
The molecular weight of RefChem:1066979 is 415.06 g/mol.
Where can I buy RefChem:1066979?
You can request a quote for RefChem:1066979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066979?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.