5-23-02-00322 (Beilstein Handbook Reference)
TL;DR: 5-23-02-00322 (Beilstein Handbook Reference) (CAS 58323-04-9) is a chemical compound with molecular formula C24H33N3O5 and molecular weight 443.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]amino]-3-oxopropyl]piperazine-1-carboxylate
Also Known As: 5-23-02-00322 (Beilstein Handbook Reference), 1-Piperazinecarboxylic acid, 4-(3-((1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)amino)-3-oxopropyl)-, ethyl ester, (4-alpha,4a-beta,9b-beta)-, ethyl 4-[3-[[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]amino]-3-oxopropyl]piperazine-1-carboxylate, N-(8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)-3-[4-(ethoxycarbonyl)piperazin-1-yl]propanimidic acid, N-[(4S,4aS,9bR)-8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]-3-[4-(ethoxycarbonyl)piperazin-1-yl]propanimidic acid
| Molecular Formula | C24H33N3O5 |
|---|---|
| Molecular Weight | 443.24 g/mol |
| LogP | 2.02562 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.24203 |
| Heavy Atoms | 32 |
| Complexity | 895.6209 |
Chemical Identifiers
| CAS Number | 58323-04-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)N[C@H]2[C@@H]3[C@](CCC2=O)(C4=C(O3)C=CC(=C4)C)C |
Product Overview
5-23-02-00322 (Beilstein Handbook Reference) (CAS 58323-04-9), with molecular formula C24H33N3O5 and molecular weight 443.24 g/mol. IUPAC: ethyl 4-[3-[[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]amino]-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of 5-23-02-00322 (Beilstein Handbook Reference)
Property Insights of 5-23-02-00322 (Beilstein Handbook Reference)
The XLogP value of 2.02562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-23-02-00322 (Beilstein Handbook Reference). The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-23-02-00322 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-23-02-00322 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 6 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 5-23-02-00322 (Beilstein Handbook Reference)?
The CAS number of 5-23-02-00322 (Beilstein Handbook Reference) is 58323-04-9.
What is the molecular formula of 5-23-02-00322 (Beilstein Handbook Reference)?
The molecular formula of 5-23-02-00322 (Beilstein Handbook Reference) is C24H33N3O5.
What is the molecular weight of 5-23-02-00322 (Beilstein Handbook Reference)?
The molecular weight of 5-23-02-00322 (Beilstein Handbook Reference) is 443.24 g/mol.
Where can I buy 5-23-02-00322 (Beilstein Handbook Reference)?
You can request a quote for 5-23-02-00322 (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 5-23-02-00322 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-23-02-00322 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.