RefChem:1076083
TL;DR: RefChem:1076083 (CAS 66922-75-6) is a chemical compound with molecular formula C42H48Cl4N2O5S2 and molecular weight 864.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate);hydrate;dihydrochloride
Also Known As: C21H22ClNO2S.ClH.1/2H2O, C21-H22-Cl-N-O2-S.Cl-H.1/2H2-O, 2-(p-Chlorophenyl)-3-(2-thienyl)acrylic acid 3-tropanyl ester hydrochloride hemihydrate, Acrylic acid, 2-(p-chlorophenyl)-3-(2-thienyl)-, 3-tropanyl ester, hydrochloride, hemihydrate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate hydrate dihydrochloride
| Molecular Formula | C42H48Cl4N2O5S2 |
|---|---|
| Molecular Weight | 864.18 g/mol |
| LogP | 10.2399 |
| Topological Polar Surface Area | 90.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 864.1759 |
| Heavy Atoms | 55 |
| Complexity | 1721.5491 |
Chemical Identifiers
| CAS Number | 66922-75-6 |
|---|---|
| SMILES | CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)Cl.CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)Cl.O.Cl.Cl |
Product Overview
RefChem:1076083 (CAS 66922-75-6), with molecular formula C42H48Cl4N2O5S2 and molecular weight 864.18 g/mol. IUPAC: bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enoate);hydrate;dihydrochloride.
Chemical Property Profile of RefChem:1076083
Property Insights of RefChem:1076083
The XLogP value of 10.2399 indicates that RefChem:1076083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076083. Following Lipinski's Rule of Five, RefChem:1076083 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1076083?
The CAS number of RefChem:1076083 is 66922-75-6.
What is the molecular formula of RefChem:1076083?
The molecular formula of RefChem:1076083 is C42H48Cl4N2O5S2.
What is the molecular weight of RefChem:1076083?
The molecular weight of RefChem:1076083 is 864.18 g/mol.
Where can I buy RefChem:1076083?
You can request a quote for RefChem:1076083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.