RefChem:305380
TL;DR: RefChem:305380 (CAS 5339-28-6) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18 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) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate;hydrochloride
Also Known As: 3-alpha-Tropanyl 8,9-dihydro-7H-benzocycloheptene-5-acetate hydrochloride, 5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 6,7-dihydro-5h-benzo[7]annulen-9-ylacetate hydrochloride(1:1), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate hydrochloride, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate,hydrochloride
| Molecular Formula | C21H28ClNO2 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 4.3866 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.18085 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 5339-28-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CCCCC4=CC=CC=C43.Cl |
| InChIKey | BKHSZWCXVZDZEP-UHFFFAOYSA-N |
Product Overview
RefChem:305380 (CAS 5339-28-6), with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate;hydrochloride.
Chemical Property Profile of RefChem:305380
Property Insights of RefChem:305380
The XLogP value of 4.3866 indicates that RefChem:305380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:305380 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305380 has 1 hydrogen bond donor(s) and 3 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:305380?
The CAS number of RefChem:305380 is 5339-28-6.
What is the molecular formula of RefChem:305380?
The molecular formula of RefChem:305380 is C21H28ClNO2.
What is the molecular weight of RefChem:305380?
The molecular weight of RefChem:305380 is 361.18 g/mol.
Where can I buy RefChem:305380?
You can request a quote for RefChem:305380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305380?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.