5-21-01-00230 (Beilstein Handbook Reference)
TL;DR: 5-21-01-00230 (Beilstein Handbook Reference) (CAS 5471-28-3) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.22 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-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Also Known As: 5-21-01-00230 (Beilstein Handbook Reference), 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylacetate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
| Molecular Formula | C21H29NO2 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.21982 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 5471-28-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3CCCCC4=CC=CC=C34 |
| InChIKey | IPQGPDINAMNKGL-UHFFFAOYSA-N |
Product Overview
5-21-01-00230 (Beilstein Handbook Reference) (CAS 5471-28-3), with molecular formula C21H29NO2 and molecular weight 327.22 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate.
Chemical Property Profile of 5-21-01-00230 (Beilstein Handbook Reference)
Property Insights of 5-21-01-00230 (Beilstein Handbook Reference)
The XLogP value of 4.7 indicates that 5-21-01-00230 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 5-21-01-00230 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-21-01-00230 (Beilstein Handbook Reference) has 0 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 5-21-01-00230 (Beilstein Handbook Reference)?
The CAS number of 5-21-01-00230 (Beilstein Handbook Reference) is 5471-28-3.
What is the molecular formula of 5-21-01-00230 (Beilstein Handbook Reference)?
The molecular formula of 5-21-01-00230 (Beilstein Handbook Reference) is C21H29NO2.
What is the molecular weight of 5-21-01-00230 (Beilstein Handbook Reference)?
The molecular weight of 5-21-01-00230 (Beilstein Handbook Reference) is 327.22 g/mol.
Where can I buy 5-21-01-00230 (Beilstein Handbook Reference)?
You can request a quote for 5-21-01-00230 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-21-01-00230 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-21-01-00230 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.