RefChem:1076085
TL;DR: RefChem:1076085 (CAS 66922-77-8) is a chemical compound with molecular formula C22H26ClNO3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enoate;hydrochloride
Also Known As: 2-(p-Methoxyphenyl)-3-(2-thienyl)acrylic acid 3-tropanyl ester hydrochloride, Acrylic acid, 2-(p-methoxyphenyl)-3-(2-thienyl)-, 3-tropanyl ester, hydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enoate hydrochloride, Benzeneacetic acid, 4-methoxy-.alpha.-(2-thienylmethylene)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, RefChem:1076085
| Molecular Formula | C22H26ClNO3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.8875 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.1322 |
| Heavy Atoms | 28 |
| Complexity | 804.8172 |
Chemical Identifiers
| CAS Number | 66922-77-8 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)OC.Cl |
Product Overview
RefChem:1076085 (CAS 66922-77-8), with molecular formula C22H26ClNO3S and molecular weight 419.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enoate;hydrochloride.
Chemical Property Profile of RefChem:1076085
Property Insights of RefChem:1076085
The XLogP value of 4.8875 indicates that RefChem:1076085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:1076085 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076085 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1076085?
The CAS number of RefChem:1076085 is 66922-77-8.
What is the molecular formula of RefChem:1076085?
The molecular formula of RefChem:1076085 is C22H26ClNO3S.
What is the molecular weight of RefChem:1076085?
The molecular weight of RefChem:1076085 is 419.13 g/mol.
Where can I buy RefChem:1076085?
You can request a quote for RefChem:1076085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076085?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.